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

C18H22N2 — CID 106652952

IUPACN-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C18H22N2/c1-2-19-18(15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20-17/h6-9,11-13,18-19H,2-5,10H2,1H3
InChIKeyJOTWHGGYXORFOO-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.39
Rot. Bonds4

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

N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine (PubChem CID 106652952) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
PubChem CID106652952
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C18H22N2/c1-2-19-18(15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20-17/h6-9,11-13,18-19H,2-5,10H2,1H3
InChIKeyJOTWHGGYXORFOO-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.39
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-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654822
N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654823
N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 106657298
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222767
N-[(4-methylphenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222559
N-[furan-2-yl(quinolin-2-yl)methyl]ethanamine
CID 63950003
N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222518
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine
CID 62078356

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine (CID 106652952) is N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine is CCNC(C1=CCCCC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine?
The InChIKey is JOTWHGGYXORFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-19-18(15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20-17/h6-9,11-13,18-19H,2-5,10H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine?
N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 4.39, 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(quinolin-2-yl)methyl]ethanamine is sourced from PubChem (CID 106652952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).