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

C14H17N3O — CID 115452974

IUPAC1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1(CN)CC1
InChIInChI=1S/C14H17N3O/c15-8-9-17(10-12-4-2-1-3-5-12)13(18)14(11-16)6-7-14/h1-5H,6-7,9-11,16H2
InChIKeyJMOPDVSCYAKYFA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.28
Rot. Bonds5

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

1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide (PubChem CID 115452974) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
PubChem CID115452974
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1(CN)CC1
InChIInChI=1S/C14H17N3O/c15-8-9-17(10-12-4-2-1-3-5-12)13(18)14(11-16)6-7-14/h1-5H,6-7,9-11,16H2
InChIKeyJMOPDVSCYAKYFA-UHFFFAOYSA-N
XLogP1.28
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.28
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)cyclobutane-1-carboxamide
CID 115448218
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
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-amino-N-benzyl-N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 64554419
4-[benzyl(cyanomethyl)amino]-4-oxobutanoic acid
CID 54916538
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
phenyl N-benzyl-N-(cyanomethyl)carbamate
CID 61357041
(E)-4-[benzyl(cyanomethyl)amino]-4-oxobut-2-enoic acid
CID 54916537
1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
CID 113310819
N-benzyl-N-(cyanomethyl)furan-2-carboxamide
CID 61035761

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide (CID 115452974) is 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide is N#CCN(Cc1ccccc1)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide?
The InChIKey is JMOPDVSCYAKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-9-17(10-12-4-2-1-3-5-12)13(18)14(11-16)6-7-14/h1-5H,6-7,9-11,16H2.
What are the key properties of 1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.28, 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)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).