1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine

C15H22N2 — CID 106652787

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)C1=CCCCC1
InChIInChI=1S/C15H22N2/c1-2-17-15(14-6-4-3-5-7-14)12-13-8-10-16-11-9-13/h6,8-11,15,17H,2-5,7,12H2,1H3
InChIKeyISMCTSVTUSBHHX-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.10
Rot. Bonds5

About 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine

1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine (PubChem CID 106652787) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
PubChem CID106652787
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)C1=CCCCC1
InChIInChI=1S/C15H22N2/c1-2-17-15(14-6-4-3-5-7-14)12-13-8-10-16-11-9-13/h6,8-11,15,17H,2-5,7,12H2,1H3
InChIKeyISMCTSVTUSBHHX-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.10
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-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 106657196
1-(cyclohexen-1-yl)-N-ethyl-2-naphthalen-2-ylethanamine
CID 106657295
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652839
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 63506622
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 62079036
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine (CID 106652787) is 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine is CCNC(Cc1ccncc1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine?
The InChIKey is ISMCTSVTUSBHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-17-15(14-6-4-3-5-7-14)12-13-8-10-16-11-9-13/h6,8-11,15,17H,2-5,7,12H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine?
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 106652787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).