1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine

C18H35N — CID 107429945

IUPAC1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(C2CC(C)CC(C)C2)C1
InChIInChI=1S/C18H35N/c1-13(2)8-16-6-5-7-18(19,12-16)17-10-14(3)9-15(4)11-17/h13-17H,5-12,19H2,1-4H3
InChIKeySJJUPTDYORQVCJ-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.99
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine

1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107429945) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107429945
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(C2CC(C)CC(C)C2)C1
InChIInChI=1S/C18H35N/c1-13(2)8-16-6-5-7-18(19,12-16)17-10-14(3)9-15(4)11-17/h13-17H,5-12,19H2,1-4H3
InChIKeySJJUPTDYORQVCJ-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
1-chloro-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107430290
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 107429493
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
CID 107430677
1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430049

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine (CID 107429945) is 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(N)(C2CC(C)CC(C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is SJJUPTDYORQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-13(2)8-16-6-5-7-18(19,12-16)17-10-14(3)9-15(4)11-17/h13-17H,5-12,19H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine?
1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107429945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).