1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C10H17F3N2O — CID 80587355

IUPAC1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(CN)CC1
InChIInChI=1S/C10H17F3N2O/c1-2-5-15(7-10(11,12)13)8(16)9(6-14)3-4-9/h2-7,14H2,1H3
InChIKeyHSQONPOAYVCNBO-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.53
Rot. Bonds5

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

1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 80587355) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID80587355
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(CN)CC1
InChIInChI=1S/C10H17F3N2O/c1-2-5-15(7-10(11,12)13)8(16)9(6-14)3-4-9/h2-7,14H2,1H3
InChIKeyHSQONPOAYVCNBO-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 80587355) is 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is HSQONPOAYVCNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-5-15(7-10(11,12)13)8(16)9(6-14)3-4-9/h2-7,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).