2-amino-N-propylpentanamide

C8H18N2O — CID 43649977

IUPAC2-amino-N-propylpentanamide
SMILESCCCNC(=O)C(N)CCC
InChIInChI=1S/C8H18N2O/c1-3-5-7(9)8(11)10-6-4-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyKCCQNMOVZZQILJ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds5

About 2-amino-N-propylpentanamide

2-amino-N-propylpentanamide (PubChem CID 43649977) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-amino-N-propylpentanamide.

Molecular Properties

Compound Name2-amino-N-propylpentanamide
PubChem CID43649977
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-amino-N-propylpentanamide
SMILESCCCNC(=O)C(N)CCC
InChIInChI=1S/C8H18N2O/c1-3-5-7(9)8(11)10-6-4-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyKCCQNMOVZZQILJ-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-butylpentanamide
CID 82668431
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
3-amino-2-oxo-N-propylhexanamide
CID 88906277
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
CID 57250852
2-amino-5-methoxy-N-propylpentanamide
CID 81082005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propylpentanamide?
The IUPAC name of 2-amino-N-propylpentanamide (CID 43649977) is 2-amino-N-propylpentanamide.
What is the SMILES notation for 2-amino-N-propylpentanamide?
The canonical SMILES for 2-amino-N-propylpentanamide is CCCNC(=O)C(N)CCC.
What is the InChIKey of 2-amino-N-propylpentanamide?
The InChIKey is KCCQNMOVZZQILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-5-7(9)8(11)10-6-4-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-N-propylpentanamide?
2-amino-N-propylpentanamide has a molecular weight of 158.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propylpentanamide is sourced from PubChem (CID 43649977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).