N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine

C102H222N18O2 — CID 157418384

IUPACN,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine
SMILESCC(C)N1CCC(CCN2CCN(C)CC2)CC1.CC(C)NCCCCN1CCN(C)CC1.CC1CCC(OC2CCN(C(C)C)CC2)CC1.CCCCCCCCC(C)C.CCCCCNCCN1CCN(C(C)C)CC1.CNCCCCCN(C)C(C)C.CNCCCCN1CCN(C(C)C)CC1.COCCCNCCN1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N3.C15H29NO.C14H31N3.C13H29N3O.2C12H27N3.C11H24.C10H24N2/c1-14(2)18-8-5-15(6-9-18)4-7-17-12-10-16(3)11-13-17;1-12(2)16-10-8-15(9-11-16)17-14-6-4-13(3)5-7-14;1-4-5-6-7-15-8-9-16-10-12-17(13-11-16)14(2)3;1-13(2)16-10-8-15(9-11-16)7-6-14-5-4-12-17-3;1-12(2)13-6-4-5-7-15-10-8-14(3)9-11-15;1-12(2)15-10-8-14(9-11-15)7-5-4-6-13-3;1-4-5-6-7-8-9-10-11(2)3;1-10(2)12(4)9-7-5-6-8-11-3/h14-15H,4-13H2,1-3H3;12-15H,4-11H2,1-3H3;14-15H,4-13H2,1-3H3;13-14H,4-12H2,1-3H3;2*12-13H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3
InChIKeyBPCPOLCNHQKOIO-UHFFFAOYSA-N
MW1733.02 g/mol
LogP15.76
Rot. Bonds49

About N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine

N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine (PubChem CID 157418384) has the molecular formula C102H222N18O2 and a molecular weight of 1733.02 g/mol. Its IUPAC name is N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine
PubChem CID157418384
Molecular FormulaC102H222N18O2
Molecular Weight1733.02 g/mol
Exact Mass1731.78
IUPAC NameN,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine
SMILESCC(C)N1CCC(CCN2CCN(C)CC2)CC1.CC(C)NCCCCN1CCN(C)CC1.CC1CCC(OC2CCN(C(C)C)CC2)CC1.CCCCCCCCC(C)C.CCCCCNCCN1CCN(C(C)C)CC1.CNCCCCCN(C)C(C)C.CNCCCCN1CCN(C(C)C)CC1.COCCCNCCN1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N3.C15H29NO.C14H31N3.C13H29N3O.2C12H27N3.C11H24.C10H24N2/c1-14(2)18-8-5-15(6-9-18)4-7-17-12-10-16(3)11-13-17;1-12(2)16-10-8-15(9-11-16)17-14-6-4-13(3)5-7-14;1-4-5-6-7-15-8-9-16-10-12-17(13-11-16)14(2)3;1-13(2)16-10-8-15(9-11-16)7-6-14-5-4-12-17-3;1-12(2)13-6-4-5-7-15-10-8-14(3)9-11-15;1-12(2)15-10-8-14(9-11-15)7-5-4-6-13-3;1-4-5-6-7-8-9-10-11(2)3;1-10(2)12(4)9-7-5-6-8-11-3/h14-15H,4-13H2,1-3H3;12-15H,4-11H2,1-3H3;14-15H,4-13H2,1-3H3;13-14H,4-12H2,1-3H3;2*12-13H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3
InChIKeyBPCPOLCNHQKOIO-UHFFFAOYSA-N
XLogP15.76
TPSA120.73 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds49
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.02
LogP ≤ 515.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine?
The IUPAC name of N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine (CID 157418384) is N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine?
The canonical SMILES for N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine is CC(C)N1CCC(CCN2CCN(C)CC2)CC1.CC(C)NCCCCN1CCN(C)CC1.CC1CCC(OC2CCN(C(C)C)CC2)CC1.CCCCCCCCC(C)C.CCCCCNCCN1CCN(C(C)C)CC1.CNCCCCCN(C)C(C)C.CNCCCCN1CCN(C(C)C)CC1.COCCCNCCN1CCN(C(C)C)CC1.
What is the InChIKey of N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine?
The InChIKey is BPCPOLCNHQKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.C15H29NO.C14H31N3.C13H29N3O.2C12H27N3.C11H24.C10H24N2/c1-14(2)18-8-5-15(6-9-18)4-7-17-12-10-16(3)11-13-17;1-12(2)16-10-8-15(9-11-16)17-14-6-4-13(3)5-7-14;1-4-5-6-7-15-8-9-16-10-12-17(13-11-16)14(2)3;1-13(2)16-10-8-15(9-11-16)7-6-14-5-4-12-17-3;1-12(2)13-6-4-5-7-15-10-8-14(3)9-11-15;1-12(2)15-10-8-14(9-11-15)7-5-4-6-13-3;1-4-5-6-7-8-9-10-11(2)3;1-10(2)12(4)9-7-5-6-8-11-3/h14-15H,4-13H2,1-3H3;12-15H,4-11H2,1-3H3;14-15H,4-13H2,1-3H3;13-14H,4-12H2,1-3H3;2*12-13H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine?
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine has a molecular weight of 1733.02 g/mol, XLogP of 15.76, 49 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine;3-methoxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine;4-(4-methylcyclohexyl)oxy-1-propan-2-ylpiperidine;2-methyldecane;4-(4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 157418384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).