2-(pentylamino)propanamide

C8H18N2O — CID 12878204

IUPAC2-(pentylamino)propanamide
SMILESCCCCCNC(C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-3-4-5-6-10-7(2)8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyBTCQJIIUIBQDTL-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds6

About 2-(pentylamino)propanamide

2-(pentylamino)propanamide (PubChem CID 12878204) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(pentylamino)propanamide.

Molecular Properties

Compound Name2-(pentylamino)propanamide
PubChem CID12878204
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-(pentylamino)propanamide
SMILESCCCCCNC(C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-3-4-5-6-10-7(2)8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyBTCQJIIUIBQDTL-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 ≤ 500158.25
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 2-(pentylamino)propanamide?
The IUPAC name of 2-(pentylamino)propanamide (CID 12878204) is 2-(pentylamino)propanamide.
What is the SMILES notation for 2-(pentylamino)propanamide?
The canonical SMILES for 2-(pentylamino)propanamide is CCCCCNC(C)C(N)=O.
What is the InChIKey of 2-(pentylamino)propanamide?
The InChIKey is BTCQJIIUIBQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-5-6-10-7(2)8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of 2-(pentylamino)propanamide?
2-(pentylamino)propanamide has a molecular weight of 158.25 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 2-(pentylamino)propanamide is sourced from PubChem (CID 12878204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).