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

C16H27F3N2 — CID 114489693

IUPAC[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H27F3N2/c1-2-3-12-4-5-13(11-20)15(10-12)21-8-6-14(7-9-21)16(17,18)19/h6,12-13,15H,2-5,7-11,20H2,1H3
InChIKeyYPGOKDOAVZUXKZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.72
Rot. Bonds4

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

[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine (PubChem CID 114489693) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
PubChem CID114489693
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H27F3N2/c1-2-3-12-4-5-13(11-20)15(10-12)21-8-6-14(7-9-21)16(17,18)19/h6,12-13,15H,2-5,7-11,20H2,1H3
InChIKeyYPGOKDOAVZUXKZ-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.72
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

2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 102628029
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 103276423
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103276501
[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963660
3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 105163514
N-[cycloocten-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 106656735
1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106656786
N-[cycloocten-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106656859
N-[cyclohepten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106656962
N-[cyclohepten-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 106657120
1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106657155
N-[cyclohepten-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106657174

Frequently Asked Questions

What is the IUPAC name of [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine (CID 114489693) is [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine is CCCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1.
What is the InChIKey of [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The InChIKey is YPGOKDOAVZUXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c1-2-3-12-4-5-13(11-20)15(10-12)21-8-6-14(7-9-21)16(17,18)19/h6,12-13,15H,2-5,7-11,20H2,1H3.
What are the key properties of [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine has a molecular weight of 304.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 114489693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).