N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine

C15H22N2 — CID 106657373

IUPACN-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1cccnc1C
InChIInChI=1S/C15H22N2/c1-3-16-15(13-8-5-4-6-9-13)14-10-7-11-17-12(14)2/h7-8,10-11,15-16H,3-6,9H2,1-2H3
InChIKeyTWGBZJAXPIGQEC-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.54
Rot. Bonds4

About N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine

N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 106657373) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID106657373
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1cccnc1C
InChIInChI=1S/C15H22N2/c1-3-16-15(13-8-5-4-6-9-13)14-10-7-11-17-12(14)2/h7-8,10-11,15-16H,3-6,9H2,1-2H3
InChIKeyTWGBZJAXPIGQEC-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.54
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-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706
N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 106654365
N-[cyclohepten-1-yl-(2-methylsulfanylphenyl)methyl]ethanamine
CID 103718540
N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine
CID 62078356
N-[(2-bromo-3-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656684
N-[(5-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656484
N-[1-benzofuran-3-yl-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654255
N-[(5-chloro-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656210
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327
N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105140352

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine (CID 106657373) is N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine is CCNC(C1=CCCCC1)c1cccnc1C.
What is the InChIKey of N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is TWGBZJAXPIGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-16-15(13-8-5-4-6-9-13)14-10-7-11-17-12(14)2/h7-8,10-11,15-16H,3-6,9H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine?
N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 106657373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).