N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C16H26F3N — CID 103276501

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1=CC(C)CC(CNC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C16H26F3N/c1-11-6-12(2)8-13(7-11)10-20-15-5-3-4-14(9-15)16(17,18)19/h6,11,13-15,20H,3-5,7-10H2,1-2H3
InChIKeyMBFUQFXWCPYMPW-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.69
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 103276501) has the molecular formula C16H26F3N and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID103276501
Molecular FormulaC16H26F3N
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1=CC(C)CC(CNC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C16H26F3N/c1-11-6-12(2)8-13(7-11)10-20-15-5-3-4-14(9-15)16(17,18)19/h6,11,13-15,20H,3-5,7-10H2,1-2H3
InChIKeyMBFUQFXWCPYMPW-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
4-(Propan-2-ylamino)-1-[3-(trifluoromethyl)cyclohexen-1-yl]cyclohexane-1-carbonitrile
CID 134188267
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
2,6-difluoro-N-[3-[6-(4-fluoro-2-methylcyclohexyl)-2-methyl-4-propan-2-ylcyclohexen-1-yl]propyl]cyclohex-2-en-1-amine
CID 142802718
cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine
CID 147968810

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 103276501) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is CC1=CC(C)CC(CNC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MBFUQFXWCPYMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N/c1-11-6-12(2)8-13(7-11)10-20-15-5-3-4-14(9-15)16(17,18)19/h6,11,13-15,20H,3-5,7-10H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 103276501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).