4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine

C58H133N11 — CID 164975250

IUPAC4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CN(C)C1CCC(C(C)(C)C)CC1.CN1CCC(N2CCNCC2)CC1.CN1CCN(C2CCNCC2)CC1.CN1CCNCC1.CNCCN(C)C
InChIInChI=1S/C12H25N.2C10H21N3.C5H12N2.C5H14N2.4C4H10/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12-6-2-10(3-7-12)13-8-4-11-5-9-13;1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;1-7-4-2-6-3-5-7;1-6-4-5-7(2)3;4*1-4(2)3/h10-11H,6-9H2,1-5H3;2*10-11H,2-9H2,1H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;4*4H,1-3H3
InChIKeyDRMWPWFCWIQNKG-UHFFFAOYSA-N
MW984.78 g/mol
LogP9.06
Rot. Bonds6

About 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine

4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine (PubChem CID 164975250) has the molecular formula C58H133N11 and a molecular weight of 984.78 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine
PubChem CID164975250
Molecular FormulaC58H133N11
Molecular Weight984.78 g/mol
Exact Mass984.07
IUPAC Name4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CN(C)C1CCC(C(C)(C)C)CC1.CN1CCC(N2CCNCC2)CC1.CN1CCN(C2CCNCC2)CC1.CN1CCNCC1.CNCCN(C)C
InChIInChI=1S/C12H25N.2C10H21N3.C5H12N2.C5H14N2.4C4H10/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12-6-2-10(3-7-12)13-8-4-11-5-9-13;1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;1-7-4-2-6-3-5-7;1-6-4-5-7(2)3;4*1-4(2)3/h10-11H,6-9H2,1-5H3;2*10-11H,2-9H2,1H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;4*4H,1-3H3
InChIKeyDRMWPWFCWIQNKG-UHFFFAOYSA-N
XLogP9.06
TPSA70.80 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500984.78
LogP ≤ 59.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine (CID 164975250) is 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CN(C)C1CCC(C(C)(C)C)CC1.CN1CCC(N2CCNCC2)CC1.CN1CCN(C2CCNCC2)CC1.CN1CCNCC1.CNCCN(C)C.
What is the InChIKey of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is DRMWPWFCWIQNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.2C10H21N3.C5H12N2.C5H14N2.4C4H10/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12-6-2-10(3-7-12)13-8-4-11-5-9-13;1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;1-7-4-2-6-3-5-7;1-6-4-5-7(2)3;4*1-4(2)3/h10-11H,6-9H2,1-5H3;2*10-11H,2-9H2,1H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;4*4H,1-3H3.
What are the key properties of 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine?
4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 984.78 g/mol, XLogP of 9.06, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylcyclohexan-1-amine;1-methylpiperazine;1-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-piperidin-4-ylpiperazine;tetrakis(2-methylpropane);N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 164975250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).