N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine

C16H21F3N2 — CID 106657274

IUPACN-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H21F3N2/c1-2-10-20-15(12-6-4-3-5-7-12)14-9-8-13(11-21-14)16(17,18)19/h6,8-9,11,15,20H,2-5,7,10H2,1H3
InChIKeyAYHJCCNALHNUEQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.64
Rot. Bonds5

About N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine

N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106657274) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106657274
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H21F3N2/c1-2-10-20-15(12-6-4-3-5-7-12)14-9-8-13(11-21-14)16(17,18)19/h6,8-9,11,15,20H,2-5,7,10H2,1H3
InChIKeyAYHJCCNALHNUEQ-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.64
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

N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106653894
[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 106650233
N-[(1-methylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 103134582
N-[cyclohexen-1-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63505798
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 105166549
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114987412
N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine
CID 105181551
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[[(1E)-cycloocten-1-yl]-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 106656613
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine (CID 106657274) is N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine is CCCNC(C1=CCCCC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is AYHJCCNALHNUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-2-10-20-15(12-6-4-3-5-7-12)14-9-8-13(11-21-14)16(17,18)19/h6,8-9,11,15,20H,2-5,7,10H2,1H3.
What are the key properties of N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 298.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106657274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).