(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone

C16H29NO — CID 116579223

IUPAC(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCCC(N)(C(=O)C2CCC(C)C(C)C2)C1
InChIInChI=1S/C16H29NO/c1-11-5-4-8-16(17,10-11)15(18)14-7-6-12(2)13(3)9-14/h11-14H,4-10,17H2,1-3H3
InChIKeyWFIYQCAHHRIJPR-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.54
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone

(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone (PubChem CID 116579223) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone
PubChem CID116579223
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCCC(N)(C(=O)C2CCC(C)C(C)C2)C1
InChIInChI=1S/C16H29NO/c1-11-5-4-8-16(17,10-11)15(18)14-7-6-12(2)13(3)9-14/h11-14H,4-10,17H2,1-3H3
InChIKeyWFIYQCAHHRIJPR-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
CID 116579256
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-N-(2,3-dimethylcyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 64909548
1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone
CID 116579394
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone
CID 116598551
1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone (CID 116579223) is (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone is CC1CCCC(N)(C(=O)C2CCC(C)C(C)C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone?
The InChIKey is WFIYQCAHHRIJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11-5-4-8-16(17,10-11)15(18)14-7-6-12(2)13(3)9-14/h11-14H,4-10,17H2,1-3H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone?
(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone has a molecular weight of 251.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 116579223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).