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

C19H28N2O — CID 82261539

IUPAC2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
SMILESCC1CNc2cc(CCNCCC3=CCCCC3)ccc2O1
InChIInChI=1S/C19H28N2O/c1-15-14-21-18-13-17(7-8-19(18)22-15)10-12-20-11-9-16-5-3-2-4-6-16/h5,7-8,13,15,20-21H,2-4,6,9-12,14H2,1H3
InChIKeyCZQQCTQTTKPDHZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.90
Rot. Bonds6

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

2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine (PubChem CID 82261539) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
PubChem CID82261539
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
SMILESCC1CNc2cc(CCNCCC3=CCCCC3)ccc2O1
InChIInChI=1S/C19H28N2O/c1-15-14-21-18-13-17(7-8-19(18)22-15)10-12-20-11-9-16-5-3-2-4-6-16/h5,7-8,13,15,20-21H,2-4,6,9-12,14H2,1H3
InChIKeyCZQQCTQTTKPDHZ-UHFFFAOYSA-N
XLogP3.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.90
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
CID 82261489
N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82261533
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82059310
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82261747
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
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-dimethyl-3H-1-benzofuran-5-yl)methyl]ethanamine
CID 63420843
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
2-(cyclopenten-1-yl)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]ethanamine
CID 106169576

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine (CID 82261539) is 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine is CC1CNc2cc(CCNCCC3=CCCCC3)ccc2O1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
The InChIKey is CZQQCTQTTKPDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-14-21-18-13-17(7-8-19(18)22-15)10-12-20-11-9-16-5-3-2-4-6-16/h5,7-8,13,15,20-21H,2-4,6,9-12,14H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine?
2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine has a molecular weight of 300.45 g/mol, XLogP of 3.90, 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-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine is sourced from PubChem (CID 82261539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).