(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide

C14H26N2O — CID 70337102

IUPAC(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)[C@@H](N)C1CCCCC1)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-16(12-9-5-6-10-12)14(17)13(15)11-7-3-2-4-8-11/h11-13H,2-10,15H2,1H3/t13-/m0/s1
InChIKeyNEKKNZYRFVERPR-ZDUSSCGKSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds3

About (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide

(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide (PubChem CID 70337102) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
PubChem CID70337102
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)[C@@H](N)C1CCCCC1)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-16(12-9-5-6-10-12)14(17)13(15)11-7-3-2-4-8-11/h11-13H,2-10,15H2,1H3/t13-/m0/s1
InChIKeyNEKKNZYRFVERPR-ZDUSSCGKSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide (CID 70337102) is (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide is CN(C(=O)[C@@H](N)C1CCCCC1)C1CCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide?
The InChIKey is NEKKNZYRFVERPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-16(12-9-5-6-10-12)14(17)13(15)11-7-3-2-4-8-11/h11-13H,2-10,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide?
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide has a molecular weight of 238.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 70337102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).