1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide

C13H23N3O — CID 78994350

IUPAC1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H23N3O/c1-3-16(4-2)10-6-9-15-12(17)13(11-14)7-5-8-13/h3-10H2,1-2H3,(H,15,17)
InChIKeyBBLWYZNXWUATBO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds7

About 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide

1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide (PubChem CID 78994350) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
PubChem CID78994350
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H23N3O/c1-3-16(4-2)10-6-9-15-12(17)13(11-14)7-5-8-13/h3-10H2,1-2H3,(H,15,17)
InChIKeyBBLWYZNXWUATBO-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide (CID 78994350) is 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide is CCN(CC)CCCNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide?
The InChIKey is BBLWYZNXWUATBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16(4-2)10-6-9-15-12(17)13(11-14)7-5-8-13/h3-10H2,1-2H3,(H,15,17).
What are the key properties of 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide?
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 78994350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).