1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine

C14H29N3 — CID 141171838

IUPAC1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine
SMILESCC(CNC1CCCCC1)NC1CCNCC1
InChIInChI=1S/C14H29N3/c1-12(17-14-7-9-15-10-8-14)11-16-13-5-3-2-4-6-13/h12-17H,2-11H2,1H3
InChIKeyQNZSMBHRPDNBMG-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.64
Rot. Bonds5

About 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine

1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine (PubChem CID 141171838) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine
PubChem CID141171838
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine
SMILESCC(CNC1CCCCC1)NC1CCNCC1
InChIInChI=1S/C14H29N3/c1-12(17-14-7-9-15-10-8-14)11-16-13-5-3-2-4-6-13/h12-17H,2-11H2,1H3
InChIKeyQNZSMBHRPDNBMG-UHFFFAOYSA-N
XLogP1.64
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclohexyl-2-N-cyclopropylpropane-1,2-diamine
CID 62568486
1-(azepan-4-ylamino)propan-2-ol
CID 103980928
N-(2,2-difluoroethyl)azepan-4-amine
CID 84656479
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
1-(cyclooctylamino)propan-2-ol
CID 20539535
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
1-(cycloheptylamino)propan-2-ol
CID 43392225
2-(cyclododecylamino)propan-1-ol
CID 43499740
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine (CID 141171838) is 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine is CC(CNC1CCCCC1)NC1CCNCC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine?
The InChIKey is QNZSMBHRPDNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(17-14-7-9-15-10-8-14)11-16-13-5-3-2-4-6-13/h12-17H,2-11H2,1H3.
What are the key properties of 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine?
1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 141171838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).