2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine

C17H21N3 — CID 43766350

IUPAC2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESC1=C(CCNCc2cnc3ccccc3n2)CCCC1
InChIInChI=1S/C17H21N3/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-16-8-4-5-9-17(16)20-15/h4-6,8-9,13,18H,1-3,7,10-12H2
InChIKeyZTMGVOVPNXDKPS-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.61
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine (PubChem CID 43766350) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
PubChem CID43766350
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESC1=C(CCNCc2cnc3ccccc3n2)CCCC1
InChIInChI=1S/C17H21N3/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-16-8-4-5-9-17(16)20-15/h4-6,8-9,13,18H,1-3,7,10-12H2
InChIKeyZTMGVOVPNXDKPS-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 60914777
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 42884187
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzene-1,3-diol
CID 28620790
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine (CID 43766350) is 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine is C1=C(CCNCc2cnc3ccccc3n2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The InChIKey is ZTMGVOVPNXDKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-16-8-4-5-9-17(16)20-15/h4-6,8-9,13,18H,1-3,7,10-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine has a molecular weight of 267.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine is sourced from PubChem (CID 43766350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).