N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

C12H22ClF3N2O — CID 119583364

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)C1CCCC(C(F)(F)F)C1.Cl
InChIInChI=1S/C12H21F3N2O.ClH/c1-8(7-16)17(2)11(18)9-4-3-5-10(6-9)12(13,14)15;/h8-10H,3-7,16H2,1-2H3;1H
InChIKeyDGCKIGPBWBIPHL-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.58
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119583364) has the molecular formula C12H22ClF3N2O and a molecular weight of 302.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119583364
Molecular FormulaC12H22ClF3N2O
Molecular Weight302.77 g/mol
Exact Mass302.14
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)C1CCCC(C(F)(F)F)C1.Cl
InChIInChI=1S/C12H21F3N2O.ClH/c1-8(7-16)17(2)11(18)9-4-3-5-10(6-9)12(13,14)15;/h8-10H,3-7,16H2,1-2H3;1H
InChIKeyDGCKIGPBWBIPHL-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119583364) is N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is CC(CN)N(C)C(=O)C1CCCC(C(F)(F)F)C1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DGCKIGPBWBIPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O.ClH/c1-8(7-16)17(2)11(18)9-4-3-5-10(6-9)12(13,14)15;/h8-10H,3-7,16H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 302.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119583364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).