1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide

C15H25F3N2O — CID 115437435

IUPAC1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)11-4-6-12(7-5-11)20-13(21)14(10-19)8-2-1-3-9-14/h11-12H,1-10,19H2,(H,20,21)
InChIKeyDWWGKEQIJUMYNR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.13
Rot. Bonds3

About 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide (PubChem CID 115437435) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
PubChem CID115437435
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)11-4-6-12(7-5-11)20-13(21)14(10-19)8-2-1-3-9-14/h11-12H,1-10,19H2,(H,20,21)
InChIKeyDWWGKEQIJUMYNR-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 115447469
1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide
CID 81178897
1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 79394609
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748
1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
CID 115443799
1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114123111
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide
CID 119716208
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide (CID 115437435) is 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide is NCC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is DWWGKEQIJUMYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c16-15(17,18)11-4-6-12(7-5-11)20-13(21)14(10-19)8-2-1-3-9-14/h11-12H,1-10,19H2,(H,20,21).
What are the key properties of 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).