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

C18H38N2 — CID 22137195

IUPAC4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
SMILESCC1CC(CC2CCC(N)C(C)C2)CCC1N.CCC
InChIInChI=1S/C15H30N2.C3H8/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;1-3-2/h10-15H,3-9,16-17H2,1-2H3;3H2,1-2H3
InChIKeyOONNVSCIAIEKER-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.32
Rot. Bonds2

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

4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane (PubChem CID 22137195) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane.

Molecular Properties

Compound Name4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
PubChem CID22137195
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
SMILESCC1CC(CC2CCC(N)C(C)C2)CCC1N.CCC
InChIInChI=1S/C15H30N2.C3H8/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;1-3-2/h10-15H,3-9,16-17H2,1-2H3;3H2,1-2H3
InChIKeyOONNVSCIAIEKER-UHFFFAOYSA-N
XLogP4.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 146360825
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
4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine
CID 176986857
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 20515298
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane?
The IUPAC name of 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane (CID 22137195) is 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane.
What is the SMILES notation for 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane?
The canonical SMILES for 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane is CC1CC(CC2CCC(N)C(C)C2)CCC1N.CCC.
What is the InChIKey of 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane?
The InChIKey is OONNVSCIAIEKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C3H8/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;1-3-2/h10-15H,3-9,16-17H2,1-2H3;3H2,1-2H3.
What are the key properties of 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane?
4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane has a molecular weight of 282.52 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane is sourced from PubChem (CID 22137195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).