1-(ethylamino)butylcyanamide

C7H15N3 — CID 123415361

IUPAC1-(ethylamino)butylcyanamide
SMILESCCCC(NC#N)NCC
InChIInChI=1S/C7H15N3/c1-3-5-7(9-4-2)10-6-8/h7,9-10H,3-5H2,1-2H3
InChIKeyKMHIEGPXWSKBTG-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.79
Rot. Bonds5

About 1-(ethylamino)butylcyanamide

1-(ethylamino)butylcyanamide (PubChem CID 123415361) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-(ethylamino)butylcyanamide.

Molecular Properties

Compound Name1-(ethylamino)butylcyanamide
PubChem CID123415361
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-(ethylamino)butylcyanamide
SMILESCCCC(NC#N)NCC
InChIInChI=1S/C7H15N3/c1-3-5-7(9-4-2)10-6-8/h7,9-10H,3-5H2,1-2H3
InChIKeyKMHIEGPXWSKBTG-UHFFFAOYSA-N
XLogP0.79
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(ethylamino)butylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)butylcyanamide?
The IUPAC name of 1-(ethylamino)butylcyanamide (CID 123415361) is 1-(ethylamino)butylcyanamide.
What is the SMILES notation for 1-(ethylamino)butylcyanamide?
The canonical SMILES for 1-(ethylamino)butylcyanamide is CCCC(NC#N)NCC.
What is the InChIKey of 1-(ethylamino)butylcyanamide?
The InChIKey is KMHIEGPXWSKBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-5-7(9-4-2)10-6-8/h7,9-10H,3-5H2,1-2H3.
What are the key properties of 1-(ethylamino)butylcyanamide?
1-(ethylamino)butylcyanamide has a molecular weight of 141.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)butylcyanamide is sourced from PubChem (CID 123415361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).