1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C10H17F3N2O — CID 80587480

IUPAC1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1(CN)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(2)15(6-10(11,12)13)8(16)9(5-14)3-4-9/h7H,3-6,14H2,1-2H3
InChIKeyQVBBFHPZATYUEX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.52
Rot. Bonds4

About 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 80587480) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID80587480
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1(CN)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(2)15(6-10(11,12)13)8(16)9(5-14)3-4-9/h7H,3-6,14H2,1-2H3
InChIKeyQVBBFHPZATYUEX-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 80587480) is 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CC(C)N(CC(F)(F)F)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is QVBBFHPZATYUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(2)15(6-10(11,12)13)8(16)9(5-14)3-4-9/h7H,3-6,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).