[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine

C14H23F3N2 — CID 114490107

IUPAC[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13-5-7-19(8-6-13)10-12-4-2-1-3-11(12)9-18/h5,11-12H,1-4,6-10,18H2
InChIKeyXBKHCSMJQQCKLN-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.95
Rot. Bonds3

About [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine

[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (PubChem CID 114490107) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
PubChem CID114490107
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13-5-7-19(8-6-13)10-12-4-2-1-3-11(12)9-18/h5,11-12H,1-4,6-10,18H2
InChIKeyXBKHCSMJQQCKLN-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
CID 162578645
[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963660
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 105163420
N,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 105163497
1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 106657400
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 106657492
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 113591608
1-(2-piperidin-3-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591662
3-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591691
N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 113687762
1-[(3-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114278939

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (CID 114490107) is [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine is NCC1CCCCC1CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The InChIKey is XBKHCSMJQQCKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)13-5-7-19(8-6-13)10-12-4-2-1-3-11(12)9-18/h5,11-12H,1-4,6-10,18H2.
What are the key properties of [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine has a molecular weight of 276.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 114490107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).