2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide

C14H20N2O — CID 20976537

IUPAC2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)C1CC1CN)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-10(2)16(12-6-4-3-5-7-12)14(17)13-8-11(13)9-15/h3-7,10-11,13H,8-9,15H2,1-2H3
InChIKeyIKUQWDGBMHXSMS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.02
Rot. Bonds4

About 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide

2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 20976537) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID20976537
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)C1CC1CN)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-10(2)16(12-6-4-3-5-7-12)14(17)13-8-11(13)9-15/h3-7,10-11,13H,8-9,15H2,1-2H3
InChIKeyIKUQWDGBMHXSMS-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 20976537) is 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(C(=O)C1CC1CN)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is IKUQWDGBMHXSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16(12-6-4-3-5-7-12)14(17)13-8-11(13)9-15/h3-7,10-11,13H,8-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 20976537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).