4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine

C15H30N2 — CID 146360825

IUPAC4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(CC2CCC(N)[C@@H](C)C2)CCC1N
InChIInChI=1S/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3/t10-,11?,12?,13?,14?,15?/m0/s1
InChIKeyIGSBHTZEJMPDSZ-GFSREQAASA-N
MW238.42 g/mol
LogP2.90
Rot. Bonds2

About 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine

4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine (PubChem CID 146360825) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
PubChem CID146360825
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(CC2CCC(N)[C@@H](C)C2)CCC1N
InChIInChI=1S/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3/t10-,11?,12?,13?,14?,15?/m0/s1
InChIKeyIGSBHTZEJMPDSZ-GFSREQAASA-N
XLogP2.90
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
CID 22137195
4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 54467205
2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 90208733
4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
CID 57090235
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
2,4-dimethylcyclohexan-1-amine
CID 14675373
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine
CID 130238644
4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine
CID 13387426
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 6480559
4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine
CID 176986857
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine (CID 146360825) is 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine is CC1CC(CC2CCC(N)[C@@H](C)C2)CCC1N.
What is the InChIKey of 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The InChIKey is IGSBHTZEJMPDSZ-GFSREQAASA-N. The full InChI is InChI=1S/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3/t10-,11?,12?,13?,14?,15?/m0/s1.
What are the key properties of 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 146360825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).