(2S)-2-amino-N-methyl-N-propylbutanamide

C8H18N2O — CID 79025089

IUPAC(2S)-2-amino-N-methyl-N-propylbutanamide
SMILESCCCN(C)C(=O)[C@@H](N)CC
InChIInChI=1S/C8H18N2O/c1-4-6-10(3)8(11)7(9)5-2/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyZNBSPCMLTRHBAZ-ZETCQYMHSA-N
MW158.24 g/mol
LogP0.59
Rot. Bonds4

About (2S)-2-amino-N-methyl-N-propylbutanamide

(2S)-2-amino-N-methyl-N-propylbutanamide (PubChem CID 79025089) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-propylbutanamide
PubChem CID79025089
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-amino-N-methyl-N-propylbutanamide
SMILESCCCN(C)C(=O)[C@@H](N)CC
InChIInChI=1S/C8H18N2O/c1-4-6-10(3)8(11)7(9)5-2/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyZNBSPCMLTRHBAZ-ZETCQYMHSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone
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(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
(2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylbutanamide
CID 23645884
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-propylbutanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-propylbutanamide (CID 79025089) is (2S)-2-amino-N-methyl-N-propylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-propylbutanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-propylbutanamide is CCCN(C)C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-methyl-N-propylbutanamide?
The InChIKey is ZNBSPCMLTRHBAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-6-10(3)8(11)7(9)5-2/h7H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-propylbutanamide?
(2S)-2-amino-N-methyl-N-propylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-propylbutanamide is sourced from PubChem (CID 79025089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).