(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide

C12H27N3O — CID 103831986

IUPAC(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCCCN(C)C
InChIInChI=1S/C12H27N3O/c1-4-5-8-11(13)12(16)14-9-6-7-10-15(2)3/h11H,4-10,13H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKeyWQVQBBYOPZFZRK-NSHDSACASA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds9

About (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide

(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide (PubChem CID 103831986) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
PubChem CID103831986
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCCCN(C)C
InChIInChI=1S/C12H27N3O/c1-4-5-8-11(13)12(16)14-9-6-7-10-15(2)3/h11H,4-10,13H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKeyWQVQBBYOPZFZRK-NSHDSACASA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
CID 103832053
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide (CID 103831986) is (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide is CCCC[C@H](N)C(=O)NCCCCN(C)C.
What is the InChIKey of (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide?
The InChIKey is WQVQBBYOPZFZRK-NSHDSACASA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-5-8-11(13)12(16)14-9-6-7-10-15(2)3/h11H,4-10,13H2,1-3H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide?
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide is sourced from PubChem (CID 103831986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).