N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine

C16H35N3 — CID 103776874

IUPACN'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN1CCC(NCCCN(C)C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-14(2)13-19-11-7-16(8-12-19)17-9-6-10-18(5)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyFJXREELKWDJHAP-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine

N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103776874) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103776874
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN1CCC(NCCCN(C)C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-14(2)13-19-11-7-16(8-12-19)17-9-6-10-18(5)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyFJXREELKWDJHAP-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 107094063
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776314
methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 167687218
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine (CID 103776874) is N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine is CC(C)CN1CCC(NCCCN(C)C(C)C)CC1.
What is the InChIKey of N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is FJXREELKWDJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(2)13-19-11-7-16(8-12-19)17-9-6-10-18(5)15(3)4/h14-17H,6-13H2,1-5H3.
What are the key properties of N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103776874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).