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

C13H21F3N2 — CID 114490089

IUPAC2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)11-5-7-18(8-6-11)9-10-3-1-2-4-12(10)17/h5,10,12H,1-4,6-9,17H2
InChIKeyNQESATHTRCKSLD-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.70
Rot. Bonds2

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

2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 114490089) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
PubChem CID114490089
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)11-5-7-18(8-6-11)9-10-3-1-2-4-12(10)17/h5,10,12H,1-4,6-9,17H2
InChIKeyNQESATHTRCKSLD-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.70
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-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434484
N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754436
N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757851
N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759199
N-[2-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-amine
CID 65700467
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 103276423
[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
N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 106170271

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (CID 114490089) is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine is NC1CCCCC1CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is NQESATHTRCKSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c14-13(15,16)11-5-7-18(8-6-11)9-10-3-1-2-4-12(10)17/h5,10,12H,1-4,6-9,17H2.
What are the key properties of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 262.32 g/mol, XLogP of 2.70, 2 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]cyclohexan-1-amine is sourced from PubChem (CID 114490089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).