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

C14H23F3N2 — CID 104963660

IUPAC[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13-5-7-19(8-6-13)10-12-3-1-11(9-18)2-4-12/h5,11-12H,1-4,6-10,18H2
InChIKeyFTVFTSAZNFWVOK-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.95
Rot. Bonds3

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

[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (PubChem CID 104963660) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
PubChem CID104963660
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13-5-7-19(8-6-13)10-12-3-1-11(9-18)2-4-12/h5,11-12H,1-4,6-10,18H2
InChIKeyFTVFTSAZNFWVOK-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
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221
[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-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591672
6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591674
1-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591684
2-ethyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591687
3-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591691
1-(3-pyrrolidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591692
4-methyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113591698
1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine
CID 114223799

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine (CID 104963660) is [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine is NCC1CCC(CN2CC=C(C(F)(F)F)CC2)CC1.
What is the InChIKey of [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
The InChIKey is FTVFTSAZNFWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)13-5-7-19(8-6-13)10-12-3-1-11(9-18)2-4-12/h5,11-12H,1-4,6-10,18H2.
What are the key properties of [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine?
[4-[[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 [4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 104963660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).