4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one

C13H23NO — CID 116957111

IUPAC4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one
SMILESCNC(C1CCCC1)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-14-13(10-4-2-3-5-10)11-6-8-12(15)9-7-11/h10-11,13-14H,2-9H2,1H3
InChIKeyRXJUZUBNASFDCY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.52
Rot. Bonds3

About 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one

4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one (PubChem CID 116957111) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one
PubChem CID116957111
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one
SMILESCNC(C1CCCC1)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-14-13(10-4-2-3-5-10)11-6-8-12(15)9-7-11/h10-11,13-14H,2-9H2,1H3
InChIKeyRXJUZUBNASFDCY-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
4-[amino(cyclobutyl)methyl]cyclohexan-1-one
CID 116942015
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
methyl 2-(4-oxocyclohexyl)propanoate
CID 76688325
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029
4-(1-aminopropyl)cyclohexan-1-one
CID 116941905
2-cyclopropyl-N-(4-oxocyclohexyl)propanamide
CID 83153733
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 104994252
4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957064

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one?
The IUPAC name of 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one (CID 116957111) is 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one is CNC(C1CCCC1)C1CCC(=O)CC1.
What is the InChIKey of 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one?
The InChIKey is RXJUZUBNASFDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-13(10-4-2-3-5-10)11-6-8-12(15)9-7-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one?
4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 116957111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).