(2-amino-1-methylcyclopentyl)-cyclohexylmethanone

C13H23NO — CID 116607149

IUPAC(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
SMILESCC1(C(=O)C2CCCCC2)CCCC1N
InChIInChI=1S/C13H23NO/c1-13(9-5-8-11(13)14)12(15)10-6-3-2-4-7-10/h10-11H,2-9,14H2,1H3
InChIKeySLKZUWOKXWZEBL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds2

About (2-amino-1-methylcyclopentyl)-cyclohexylmethanone

(2-amino-1-methylcyclopentyl)-cyclohexylmethanone (PubChem CID 116607149) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
PubChem CID116607149
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
SMILESCC1(C(=O)C2CCCCC2)CCCC1N
InChIInChI=1S/C13H23NO/c1-13(9-5-8-11(13)14)12(15)10-6-3-2-4-7-10/h10-11H,2-9,14H2,1H3
InChIKeySLKZUWOKXWZEBL-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314910
2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314913
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208
2-amino-N-cyclohexyl-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82765419
cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
(2-amino-1-methylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624726
2-amino-N-(1-cyclohexylethyl)-1-methylcyclopentane-1-carboxamide
CID 82768064
1-(2-amino-1-methylcyclopentanecarbonyl)piperidine-2-carboxamide
CID 82765624
1-(2-amino-1-methylcyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
CID 82768161
cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216614

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-cyclohexylmethanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-cyclohexylmethanone (CID 116607149) is (2-amino-1-methylcyclopentyl)-cyclohexylmethanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-cyclohexylmethanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-cyclohexylmethanone is CC1(C(=O)C2CCCCC2)CCCC1N.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-cyclohexylmethanone?
The InChIKey is SLKZUWOKXWZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(9-5-8-11(13)14)12(15)10-6-3-2-4-7-10/h10-11H,2-9,14H2,1H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-cyclohexylmethanone?
(2-amino-1-methylcyclopentyl)-cyclohexylmethanone has a molecular weight of 209.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-cyclohexylmethanone is sourced from PubChem (CID 116607149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).