(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide

C16H32N2O — CID 103831497

IUPAC(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-5-10-15(17)16(19)18(12-11-13(2)3)14-8-6-7-9-14/h13-15H,4-12,17H2,1-3H3/t15-/m0/s1
InChIKeyXDLRRVBYLMJULO-HNNXBMFYSA-N
MW268.44 g/mol
LogP3.32
Rot. Bonds8

About (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide

(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide (PubChem CID 103831497) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
PubChem CID103831497
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-5-10-15(17)16(19)18(12-11-13(2)3)14-8-6-7-9-14/h13-15H,4-12,17H2,1-3H3/t15-/m0/s1
InChIKeyXDLRRVBYLMJULO-HNNXBMFYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]hexanamide
CID 54873886
(2S)-2-amino-N-cyclopropyl-N-propylhexanamide
CID 103950188
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)hexanamide
CID 103951026
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
5-amino-N-cyclopentyl-2-methyl-N-(3-methylbutyl)pentanamide
CID 104685340
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)hexanamide
CID 60940048
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 103831373
2-amino-N-cyclopropyl-4-methyl-N-propylpentanamide
CID 43270485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide (CID 103831497) is (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide is CCCC[C@H](N)C(=O)N(CCC(C)C)C1CCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide?
The InChIKey is XDLRRVBYLMJULO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-5-10-15(17)16(19)18(12-11-13(2)3)14-8-6-7-9-14/h13-15H,4-12,17H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide?
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide has a molecular weight of 268.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide is sourced from PubChem (CID 103831497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).