N-(3-iminopropyl)butanamide

C7H14N2O — CID 123286483

IUPACN-(3-iminopropyl)butanamide
SMILES[H]/N=C/CCNC(=O)CCC
InChIInChI=1S/C7H14N2O/c1-2-4-7(10)9-6-3-5-8/h5,8H,2-4,6H2,1H3,(H,9,10)/b8-5+
InChIKeyMOFFEKWLTUXOMS-VMPITWQZSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds5

About N-(3-iminopropyl)butanamide

N-(3-iminopropyl)butanamide (PubChem CID 123286483) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(3-iminopropyl)butanamide.

Molecular Properties

Compound NameN-(3-iminopropyl)butanamide
PubChem CID123286483
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(3-iminopropyl)butanamide
SMILES[H]/N=C/CCNC(=O)CCC
InChIInChI=1S/C7H14N2O/c1-2-4-7(10)9-6-3-5-8/h5,8H,2-4,6H2,1H3,(H,9,10)/b8-5+
InChIKeyMOFFEKWLTUXOMS-VMPITWQZSA-N
XLogP0.94
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-iminopropyl)butanamide?
The IUPAC name of N-(3-iminopropyl)butanamide (CID 123286483) is N-(3-iminopropyl)butanamide.
What is the SMILES notation for N-(3-iminopropyl)butanamide?
The canonical SMILES for N-(3-iminopropyl)butanamide is [H]/N=C/CCNC(=O)CCC.
What is the InChIKey of N-(3-iminopropyl)butanamide?
The InChIKey is MOFFEKWLTUXOMS-VMPITWQZSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-4-7(10)9-6-3-5-8/h5,8H,2-4,6H2,1H3,(H,9,10)/b8-5+.
What are the key properties of N-(3-iminopropyl)butanamide?
N-(3-iminopropyl)butanamide has a molecular weight of 142.20 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminopropyl)butanamide is sourced from PubChem (CID 123286483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).