4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline

C19H30N2 — CID 17210231

IUPAC4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNCCC2=CCCCC2)cc1
InChIInChI=1S/C19H30N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h8,10-13,20H,3-7,9,14-16H2,1-2H3
InChIKeyYHWWSXDEAYRUET-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.51
Rot. Bonds8

About 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline

4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline (PubChem CID 17210231) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
PubChem CID17210231
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNCCC2=CCCCC2)cc1
InChIInChI=1S/C19H30N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h8,10-13,20H,3-7,9,14-16H2,1-2H3
InChIKeyYHWWSXDEAYRUET-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
2-(cyclopenten-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845268
2-(cyclohexen-1-yl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17206798
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
CID 103845360
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(diethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972633
N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
CID 53351243
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109014975
5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
CID 102536285

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline (CID 17210231) is 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(CNCCC2=CCCCC2)cc1.
What is the InChIKey of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline?
The InChIKey is YHWWSXDEAYRUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h8,10-13,20H,3-7,9,14-16H2,1-2H3.
What are the key properties of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline?
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline has a molecular weight of 286.46 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline is sourced from PubChem (CID 17210231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).