N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine

C16H31N — CID 82933466

IUPACN-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C16H31N/c1-14(2)17-13-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h14-15,17H,3-13H2,1-2H3
InChIKeyKCEPBTSKSIPDMH-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.52
Rot. Bonds4

About N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine

N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine (PubChem CID 82933466) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
PubChem CID82933466
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C16H31N/c1-14(2)17-13-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h14-15,17H,3-13H2,1-2H3
InChIKeyKCEPBTSKSIPDMH-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine
CID 82934192
N-[(1-cyclopentylcyclohexyl)methyl]ethanamine
CID 82932904
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194272
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol
CID 23388565
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine
CID 165487311
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine (CID 82933466) is N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine is CC(C)NCC1(C2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine?
The InChIKey is KCEPBTSKSIPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-14(2)17-13-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine?
N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 82933466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).