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

C11H19F3N2O — CID 113312851

IUPAC1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(CN)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-3-6-16(8-11(12,13)14)9(17)10(7-15)4-5-10/h2-8,15H2,1H3
InChIKeyAZHWYLFYHSTKIT-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.92
Rot. Bonds6

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

1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 113312851) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID113312851
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(CN)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-3-6-16(8-11(12,13)14)9(17)10(7-15)4-5-10/h2-8,15H2,1H3
InChIKeyAZHWYLFYHSTKIT-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 115448195
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 115443914
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893367
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 115448091
N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131888
1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 115435070
1-(aminomethyl)-N,N-bis[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 115452941
1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 115435051
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 113312851) is 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is AZHWYLFYHSTKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-3-6-16(8-11(12,13)14)9(17)10(7-15)4-5-10/h2-8,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113312851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).