1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine

C32H62N6 — CID 5242008

IUPAC1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine
SMILESC1CCC(CN(CC2CCCC(CN(CC3CCCCN3)CC3CCCCN3)C2)CC2CCCCN2)NC1
InChIInChI=1S/C32H62N6/c1-5-16-33-29(12-1)23-37(24-30-13-2-6-17-34-30)21-27-10-9-11-28(20-27)22-38(25-31-14-3-7-18-35-31)26-32-15-4-8-19-36-32/h27-36H,1-26H2
InChIKeyKBZAHYCNNCMIHY-UHFFFAOYSA-N
MW530.89 g/mol
LogP3.97
Rot. Bonds12

About 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine

1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine (PubChem CID 5242008) has the molecular formula C32H62N6 and a molecular weight of 530.89 g/mol. Its IUPAC name is 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine
PubChem CID5242008
Molecular FormulaC32H62N6
Molecular Weight530.89 g/mol
Exact Mass530.50
IUPAC Name1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine
SMILESC1CCC(CN(CC2CCCC(CN(CC3CCCCN3)CC3CCCCN3)C2)CC2CCCCN2)NC1
InChIInChI=1S/C32H62N6/c1-5-16-33-29(12-1)23-37(24-30-13-2-6-17-34-30)21-27-10-9-11-28(20-27)22-38(25-31-14-3-7-18-35-31)26-32-15-4-8-19-36-32/h27-36H,1-26H2
InChIKeyKBZAHYCNNCMIHY-UHFFFAOYSA-N
XLogP3.97
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.89
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine with MolForge

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Related Compounds

N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-cyclopropyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 107429472
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 107429474
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine (CID 5242008) is 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine is C1CCC(CN(CC2CCCC(CN(CC3CCCCN3)CC3CCCCN3)C2)CC2CCCCN2)NC1.
What is the InChIKey of 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine?
The InChIKey is KBZAHYCNNCMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N6/c1-5-16-33-29(12-1)23-37(24-30-13-2-6-17-34-30)21-27-10-9-11-28(20-27)22-38(25-31-14-3-7-18-35-31)26-32-15-4-8-19-36-32/h27-36H,1-26H2.
What are the key properties of 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine?
1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine has a molecular weight of 530.89 g/mol, XLogP of 3.97, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine is sourced from PubChem (CID 5242008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).