N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

C14H24ClF3N2O — CID 119566758

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCCC1
InChIInChI=1S/C14H23F3N2O.ClH/c15-14(16,17)11-5-3-4-10(8-11)12(20)19-13(9-18)6-1-2-7-13;/h10-11H,1-9,18H2,(H,19,20);1H
InChIKeyXDJRVFOUVHQVDS-UHFFFAOYSA-N
MW328.81 g/mol
LogP3.16
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119566758) has the molecular formula C14H24ClF3N2O and a molecular weight of 328.81 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119566758
Molecular FormulaC14H24ClF3N2O
Molecular Weight328.81 g/mol
Exact Mass328.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCCC1
InChIInChI=1S/C14H23F3N2O.ClH/c15-14(16,17)11-5-3-4-10(8-11)12(20)19-13(9-18)6-1-2-7-13;/h10-11H,1-9,18H2,(H,19,20);1H
InChIKeyXDJRVFOUVHQVDS-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184
N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114696233
N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81470117
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119507185
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-(6-iodohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848037
N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 119567885
3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119566758) is N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XDJRVFOUVHQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O.ClH/c15-14(16,17)11-5-3-4-10(8-11)12(20)19-13(9-18)6-1-2-7-13;/h10-11H,1-9,18H2,(H,19,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119566758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).