N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C11H17F3N2O — CID 81470117

IUPACN-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC1CC1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-3-1-2-6(4-7)10(17)16-9-5-8(9)15/h6-9H,1-5,15H2,(H,16,17)
InChIKeyYDSLDVXRNZNJKQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.57
Rot. Bonds2

About N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 81470117) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID81470117
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC1CC1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-3-1-2-6(4-7)10(17)16-9-5-8(9)15/h6-9H,1-5,15H2,(H,16,17)
InChIKeyYDSLDVXRNZNJKQ-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106367196
N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104826195
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107585035

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 81470117) is N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is NC1CC1NC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YDSLDVXRNZNJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)7-3-1-2-6(4-7)10(17)16-9-5-8(9)15/h6-9H,1-5,15H2,(H,16,17).
What are the key properties of N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 81470117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).