(2S)-2-amino-N-butyl-N-methylhexanamide

C11H24N2O — CID 103830866

IUPAC(2S)-2-amino-N-butyl-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CCCC
InChIInChI=1S/C11H24N2O/c1-4-6-8-10(12)11(14)13(3)9-7-5-2/h10H,4-9,12H2,1-3H3/t10-/m0/s1
InChIKeyBZJZMPZFJRQHAU-JTQLQIEISA-N
MW200.33 g/mol
LogP1.76
Rot. Bonds7

About (2S)-2-amino-N-butyl-N-methylhexanamide

(2S)-2-amino-N-butyl-N-methylhexanamide (PubChem CID 103830866) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-N-methylhexanamide
PubChem CID103830866
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-N-butyl-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CCCC
InChIInChI=1S/C11H24N2O/c1-4-6-8-10(12)11(14)13(3)9-7-5-2/h10H,4-9,12H2,1-3H3/t10-/m0/s1
InChIKeyBZJZMPZFJRQHAU-JTQLQIEISA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
2-amino-N-methyl-N-(2-methylbutyl)hexanamide
CID 60854026
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
N-butyl-N,2-dimethylpropanamide
CID 21413636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-butyl-N-methylhexanamide (CID 103830866) is (2S)-2-amino-N-butyl-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)CCCC.
What is the InChIKey of (2S)-2-amino-N-butyl-N-methylhexanamide?
The InChIKey is BZJZMPZFJRQHAU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-6-8-10(12)11(14)13(3)9-7-5-2/h10H,4-9,12H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-N-methylhexanamide?
(2S)-2-amino-N-butyl-N-methylhexanamide has a molecular weight of 200.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-N-methylhexanamide is sourced from PubChem (CID 103830866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).