(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide

C8H18N2O — CID 61145665

IUPAC(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
SMILESCCN(C(=O)[C@H](C)N)C(C)C
InChIInChI=1S/C8H18N2O/c1-5-10(6(2)3)8(11)7(4)9/h6-7H,5,9H2,1-4H3/t7-/m0/s1
InChIKeyHMCBKJHKBBDBEA-ZETCQYMHSA-N
MW158.24 g/mol
LogP0.59
Rot. Bonds3

About (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide

(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide (PubChem CID 61145665) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
PubChem CID61145665
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
SMILESCCN(C(=O)[C@H](C)N)C(C)C
InChIInChI=1S/C8H18N2O/c1-5-10(6(2)3)8(11)7(4)9/h6-7H,5,9H2,1-4H3/t7-/m0/s1
InChIKeyHMCBKJHKBBDBEA-ZETCQYMHSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
3-[2-aminopropanoyl(ethyl)amino]butanoic acid
CID 62825878
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810
4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495906
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
2-amino-N-ethyl-5-methoxy-N-propan-2-ylpentanamide
CID 81081261
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
ethyl 2-[ethyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537733
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide (CID 61145665) is (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide is CCN(C(=O)[C@H](C)N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide?
The InChIKey is HMCBKJHKBBDBEA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-10(6(2)3)8(11)7(4)9/h6-7H,5,9H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide?
(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide has a molecular weight of 158.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 61145665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).