1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide

C15H19N3O — CID 115448218

IUPAC1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1(CN)CCC1
InChIInChI=1S/C15H19N3O/c16-9-10-18(11-13-5-2-1-3-6-13)14(19)15(12-17)7-4-8-15/h1-3,5-6H,4,7-8,10-12,17H2
InChIKeyGDUJCURDWASUGM-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.67
Rot. Bonds5

About 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide (PubChem CID 115448218) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
PubChem CID115448218
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1(CN)CCC1
InChIInChI=1S/C15H19N3O/c16-9-10-18(11-13-5-2-1-3-6-13)14(19)15(12-17)7-4-8-15/h1-3,5-6H,4,7-8,10-12,17H2
InChIKeyGDUJCURDWASUGM-UHFFFAOYSA-N
XLogP1.67
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
CID 115452974
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
1-amino-N-benzyl-N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 64554419
1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
CID 113310819
N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
CID 61035902
3-amino-N-benzyl-N-(cyanomethyl)-2,2-dimethylpropanamide
CID 115426492
3-amino-N-benzyl-N-(cyanomethyl)-2-methylpropanamide
CID 55104706
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
4-[benzyl(cyanomethyl)amino]-4-oxobutanoic acid
CID 54916538
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
phenyl N-benzyl-N-(cyanomethyl)carbamate
CID 61357041

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide (CID 115448218) is 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide is N#CCN(Cc1ccccc1)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide?
The InChIKey is GDUJCURDWASUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-10-18(11-13-5-2-1-3-6-13)14(19)15(12-17)7-4-8-15/h1-3,5-6H,4,7-8,10-12,17H2.
What are the key properties of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).