2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C15H22N2O — CID 11622909

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IUPAC2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1CN
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
InChIKeyGJJFMKBJSRMPLA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.77
Rot. Bonds5

About 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 11622909) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID11622909
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1CN
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
InChIKeyGJJFMKBJSRMPLA-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (CID 11622909) is 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1(c2ccccc2)CC1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is GJJFMKBJSRMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11622909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).