6-amino-2-propylhexanamide

C9H20N2O — CID 57133562

IUPAC6-amino-2-propylhexanamide
SMILESCCCC(CCCCN)C(N)=O
InChIInChI=1S/C9H20N2O/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H2,11,12)
InChIKeyBQRLFGRNQSXTDS-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.02
Rot. Bonds7

About 6-amino-2-propylhexanamide

6-amino-2-propylhexanamide (PubChem CID 57133562) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-amino-2-propylhexanamide.

Molecular Properties

Compound Name6-amino-2-propylhexanamide
PubChem CID57133562
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name6-amino-2-propylhexanamide
SMILESCCCC(CCCCN)C(N)=O
InChIInChI=1S/C9H20N2O/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H2,11,12)
InChIKeyBQRLFGRNQSXTDS-UHFFFAOYSA-N
XLogP1.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propylhexanamide
CID 19818979
5-hydroxy-2-propylpentanamide
CID 21402979
2-propylhexadecanediamide
CID 142717306
2,9-dibutyldecanediamide
CID 141080467
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
ethene;2-hexadecyloctadecanamide
CID 87836706
2-propylpentadec-12-enamide
CID 140789698
2-(3-aminopropyl)hexanediamide
CID 174684338

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propylhexanamide?
The IUPAC name of 6-amino-2-propylhexanamide (CID 57133562) is 6-amino-2-propylhexanamide.
What is the SMILES notation for 6-amino-2-propylhexanamide?
The canonical SMILES for 6-amino-2-propylhexanamide is CCCC(CCCCN)C(N)=O.
What is the InChIKey of 6-amino-2-propylhexanamide?
The InChIKey is BQRLFGRNQSXTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H2,11,12).
What are the key properties of 6-amino-2-propylhexanamide?
6-amino-2-propylhexanamide has a molecular weight of 172.27 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propylhexanamide is sourced from PubChem (CID 57133562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).