1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine

C16H32N2 — CID 114544947

IUPAC1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(NC2CCC(C)(C)C2)C1
InChIInChI=1S/C16H32N2/c1-12-7-13(2)9-16(8-12,11-17)18-14-5-6-15(3,4)10-14/h12-14,18H,5-11,17H2,1-4H3
InChIKeyKHKXNLRQCXAERV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.31
Rot. Bonds3

About 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 114544947) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID114544947
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(NC2CCC(C)(C)C2)C1
InChIInChI=1S/C16H32N2/c1-12-7-13(2)9-16(8-12,11-17)18-14-5-6-15(3,4)10-14/h12-14,18H,5-11,17H2,1-4H3
InChIKeyKHKXNLRQCXAERV-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxan-4-amine
CID 114544886
3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxolan-3-amine
CID 114544816
1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
CID 62071894
1-(aminomethyl)-3,3,5,5-tetramethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 114544504
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 114547571
N-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-amine
CID 114544710
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-3-methylcyclopentan-1-amine
CID 103563194
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 114544560
[2-[[1-(aminomethyl)-3,5-dimethylcyclohexyl]amino]cyclopentyl]methanol
CID 106359954
1-(aminomethyl)-N-cyclopropyl-3,4-dimethylcyclohexan-1-amine
CID 64746635
1-(aminomethyl)-N-cyclopentyl-3,3-dimethylcyclopentan-1-amine
CID 80706363
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]cyclopentanamine
CID 130847292

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine (CID 114544947) is 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(CN)(NC2CCC(C)(C)C2)C1.
What is the InChIKey of 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is KHKXNLRQCXAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-7-13(2)9-16(8-12,11-17)18-14-5-6-15(3,4)10-14/h12-14,18H,5-11,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114544947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).