(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone

C15H27NO — CID 116579260

IUPAC(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2(N)CCCC(C)C2)C1
InChIInChI=1S/C15H27NO/c1-11-5-3-7-13(9-11)14(17)15(16)8-4-6-12(2)10-15/h11-13H,3-10,16H2,1-2H3
InChIKeyZSHSEDAQSIMMKP-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.29
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone

(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone (PubChem CID 116579260) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
PubChem CID116579260
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2(N)CCCC(C)C2)C1
InChIInChI=1S/C15H27NO/c1-11-5-3-7-13(9-11)14(17)15(16)8-4-6-12(2)10-15/h11-13H,3-10,16H2,1-2H3
InChIKeyZSHSEDAQSIMMKP-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-Amino-1,1'-bi(cyclohexyl)-2-one
CID 2771860
1-(1-Aminocyclohexyl)ethan-1-one hydrochloride
CID 53444554
1-(1-Aminocyclohexyl)propan-1-one hydrochloride
CID 139022473
1-Aminoadamantan-2-one hydrochloride
CID 12563251
1-(1-Aminocyclohexyl)ethanone
CID 5200357
1-(1-Aminocyclohexyl)propan-1-one
CID 21018812
2-Amino-1-(4-fluorocyclohexyl)-2-methylpropan-1-one
CID 140437452
5-Aminoadamantan-2-one
CID 528351
1-Amino-2-adamantanone
CID 12563250
1-(1-Amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114225569
1-(1-Amino-3-methylcyclohexyl)-5,5,5-trifluoropentan-1-one
CID 116579346
1-(1-Amino-3-methylcyclohexyl)-4,4,4-trifluorobutan-1-one
CID 116579397

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone (CID 116579260) is (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2(N)CCCC(C)C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone?
The InChIKey is ZSHSEDAQSIMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-5-3-7-13(9-11)14(17)15(16)8-4-6-12(2)10-15/h11-13H,3-10,16H2,1-2H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone?
(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone has a molecular weight of 237.39 g/mol, XLogP of 3.29, 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-methylcyclohexyl)methanone is sourced from PubChem (CID 116579260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).