N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine

C15H25F3N2 — CID 114490153

IUPACN-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
SMILESCNC1(CCN2CC=C(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C15H25F3N2/c1-19-14(7-3-2-4-8-14)9-12-20-10-5-13(6-11-20)15(16,17)18/h5,19H,2-4,6-12H2,1H3
InChIKeyPKKSPCFZLWZQSG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine

N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 114490153) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID114490153
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC NameN-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
SMILESCNC1(CCN2CC=C(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C15H25F3N2/c1-19-14(7-3-2-4-8-14)9-12-20-10-5-13(6-11-20)15(16,17)18/h5,19H,2-4,6-12H2,1H3
InChIKeyPKKSPCFZLWZQSG-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine with MolForge

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Related Compounds

1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
CID 162578645
(1S)-N-ethyl-2,2-difluoro-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexan-1-amine
CID 167272852
[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963660
1-(4,4-difluorocyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 105163302
1-(4,4-difluorocyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
CID 105163388
1-(4,4-difluorocyclohexyl)-N,3-dimethylbut-2-en-1-amine
CID 105163449
1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 106657342
N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 106657434
N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106657491
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221
1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106976554
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 113591608

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine (CID 114490153) is N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine is CNC1(CCN2CC=C(C(F)(F)F)CC2)CCCCC1.
What is the InChIKey of N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is PKKSPCFZLWZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-19-14(7-3-2-4-8-14)9-12-20-10-5-13(6-11-20)15(16,17)18/h5,19H,2-4,6-12H2,1H3.
What are the key properties of N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 290.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114490153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).