3-amino-N-pentylpropanamide

C8H18N2O — CID 18070756

IUPAC3-amino-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN
InChIInChI=1S/C8H18N2O/c1-2-3-4-7-10-8(11)5-6-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyBQWFAUQWNNKGDI-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.64
Rot. Bonds6

About 3-amino-N-pentylpropanamide

3-amino-N-pentylpropanamide (PubChem CID 18070756) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-amino-N-pentylpropanamide.

Molecular Properties

Compound Name3-amino-N-pentylpropanamide
PubChem CID18070756
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-amino-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN
InChIInChI=1S/C8H18N2O/c1-2-3-4-7-10-8(11)5-6-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyBQWFAUQWNNKGDI-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentylpropanamide?
The IUPAC name of 3-amino-N-pentylpropanamide (CID 18070756) is 3-amino-N-pentylpropanamide.
What is the SMILES notation for 3-amino-N-pentylpropanamide?
The canonical SMILES for 3-amino-N-pentylpropanamide is CCCCCNC(=O)CCN.
What is the InChIKey of 3-amino-N-pentylpropanamide?
The InChIKey is BQWFAUQWNNKGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-3-4-7-10-8(11)5-6-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-N-pentylpropanamide?
3-amino-N-pentylpropanamide has a molecular weight of 158.24 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentylpropanamide is sourced from PubChem (CID 18070756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).