2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine

C18H26N2O — CID 82261489

IUPAC2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
SMILESC1=C(CCNCCc2ccc3c(c2)NCCO3)CCCC1
InChIInChI=1S/C18H26N2O/c1-2-4-15(5-3-1)8-10-19-11-9-16-6-7-18-17(14-16)20-12-13-21-18/h4,6-7,14,19-20H,1-3,5,8-13H2
InChIKeyFNKJENYBMAYZLB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.51
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine

2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine (PubChem CID 82261489) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
PubChem CID82261489
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
SMILESC1=C(CCNCCc2ccc3c(c2)NCCO3)CCCC1
InChIInChI=1S/C18H26N2O/c1-2-4-15(5-3-1)8-10-19-11-9-16-6-7-18-17(14-16)20-12-13-21-18/h4,6-7,14,19-20H,1-3,5,8-13H2
InChIKeyFNKJENYBMAYZLB-UHFFFAOYSA-N
XLogP3.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
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

2-[2-(cyclohexen-1-yl)ethylamino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261215
2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
CID 82261539
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 82261463
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 82261461
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[2-(4-hydroxyphenyl)ethylamino]ethanone
CID 95416716
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
CID 3523210
2-(cyclohexen-1-yl)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]ethanamine
CID 63420843

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine (CID 82261489) is 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine is C1=C(CCNCCc2ccc3c(c2)NCCO3)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
The InChIKey is FNKJENYBMAYZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-4-15(5-3-1)8-10-19-11-9-16-6-7-18-17(14-16)20-12-13-21-18/h4,6-7,14,19-20H,1-3,5,8-13H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine is sourced from PubChem (CID 82261489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).