1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide

C12H19F3N2O — CID 81178897

IUPAC1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-2-4-9(5-3-8)17-10(18)11(16)6-1-7-11/h8-9H,1-7,16H2,(H,17,18)
InChIKeyTUWHDOLRLZZROP-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.11
Rot. Bonds2

About 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide

1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide (PubChem CID 81178897) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide
PubChem CID81178897
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-2-4-9(5-3-8)17-10(18)11(16)6-1-7-11/h8-9H,1-7,16H2,(H,17,18)
InChIKeyTUWHDOLRLZZROP-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
1-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 43698376
1-amino-N-(4-aminocyclohexyl)cyclopropane-1-carboxamide
CID 65466451
1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 54925385
1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339847
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 119339856
1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 81168637
1-amino-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 81169684
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 63679501
ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945314
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 111504406

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide (CID 81178897) is 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide is NC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1.
What is the InChIKey of 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide?
The InChIKey is TUWHDOLRLZZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)8-2-4-9(5-3-8)17-10(18)11(16)6-1-7-11/h8-9H,1-7,16H2,(H,17,18).
What are the key properties of 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide?
1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81178897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).