(2S)-2-amino-N,N-dibutyl-3-methylbutanamide

C13H28N2O — CID 28983163

IUPAC(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
SMILESCCCCN(CCCC)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-15(10-8-6-2)13(16)12(14)11(3)4/h11-12H,5-10,14H2,1-4H3/t12-/m0/s1
InChIKeyKNIBHEJZYYPMNT-LBPRGKRZSA-N
MW228.38 g/mol
LogP2.40
Rot. Bonds8

About (2S)-2-amino-N,N-dibutyl-3-methylbutanamide

(2S)-2-amino-N,N-dibutyl-3-methylbutanamide (PubChem CID 28983163) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-2-amino-N,N-dibutyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
PubChem CID28983163
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
SMILESCCCCN(CCCC)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-15(10-8-6-2)13(16)12(14)11(3)4/h11-12H,5-10,14H2,1-4H3/t12-/m0/s1
InChIKeyKNIBHEJZYYPMNT-LBPRGKRZSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
2-amino-N,N-dihexylpropanamide
CID 54872127
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
N,N-dibutyl-2-methylpentanamide
CID 2904869
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-dibutyl-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N,N-dibutyl-3-methylbutanamide (CID 28983163) is (2S)-2-amino-N,N-dibutyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N,N-dibutyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N,N-dibutyl-3-methylbutanamide is CCCCN(CCCC)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N,N-dibutyl-3-methylbutanamide?
The InChIKey is KNIBHEJZYYPMNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-9-15(10-8-6-2)13(16)12(14)11(3)4/h11-12H,5-10,14H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-dibutyl-3-methylbutanamide?
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.40, 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,N-dibutyl-3-methylbutanamide is sourced from PubChem (CID 28983163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).