1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine

C15H30N2 — CID 114547425

IUPAC1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CNC2CCC(C)(C)C2)C1
InChIInChI=1S/C15H30N2/c1-12-5-4-7-15(16,9-12)11-17-13-6-8-14(2,3)10-13/h12-13,17H,4-11,16H2,1-3H3
InChIKeyQNMKWMFZKKKLTB-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.06
Rot. Bonds3

About 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine

1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine (PubChem CID 114547425) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine
PubChem CID114547425
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CNC2CCC(C)(C)C2)C1
InChIInChI=1S/C15H30N2/c1-12-5-4-7-15(16,9-12)11-17-13-6-8-14(2,3)10-13/h12-13,17H,4-11,16H2,1-3H3
InChIKeyQNMKWMFZKKKLTB-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine
CID 114119727
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 114547571
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114830821
1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64554668
N-[(1-aminocyclobutyl)methyl]-3,3-difluorocyclopentan-1-amine
CID 130654103
3,3-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 114547529
3-[[(3,3-dimethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115732714
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
cobalt;1,1,3-trimethylcyclohexane
CID 70372264

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine (CID 114547425) is 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(CNC2CCC(C)(C)C2)C1.
What is the InChIKey of 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is QNMKWMFZKKKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12-5-4-7-15(16,9-12)11-17-13-6-8-14(2,3)10-13/h12-13,17H,4-11,16H2,1-3H3.
What are the key properties of 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine?
1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 114547425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).