N-(4-aminobutyl)butanamide

C8H18N2O — CID 14484861

IUPACN-(4-aminobutyl)butanamide
SMILESCCCC(=O)NCCCCN
InChIInChI=1S/C8H18N2O/c1-2-5-8(11)10-7-4-3-6-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyHQTYZWYSIZOPGA-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds6

About N-(4-aminobutyl)butanamide

N-(4-aminobutyl)butanamide (PubChem CID 14484861) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-(4-aminobutyl)butanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)butanamide
PubChem CID14484861
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-(4-aminobutyl)butanamide
SMILESCCCC(=O)NCCCCN
InChIInChI=1S/C8H18N2O/c1-2-5-8(11)10-7-4-3-6-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyHQTYZWYSIZOPGA-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 N-(4-aminobutyl)butanamide?
The IUPAC name of N-(4-aminobutyl)butanamide (CID 14484861) is N-(4-aminobutyl)butanamide.
What is the SMILES notation for N-(4-aminobutyl)butanamide?
The canonical SMILES for N-(4-aminobutyl)butanamide is CCCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)butanamide?
The InChIKey is HQTYZWYSIZOPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-5-8(11)10-7-4-3-6-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of N-(4-aminobutyl)butanamide?
N-(4-aminobutyl)butanamide 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 N-(4-aminobutyl)butanamide is sourced from PubChem (CID 14484861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).