N-(3-ethylhex-3-enyl)-3-methylaniline

C15H23N — CID 142117725

IUPACN-(3-ethylhex-3-enyl)-3-methylaniline
SMILESCCC=C(CC)CCNc1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-7-14(5-2)10-11-16-15-9-6-8-13(3)12-15/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyCWKZUGWHHCFZQW-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.54
Rot. Bonds6

About N-(3-ethylhex-3-enyl)-3-methylaniline

N-(3-ethylhex-3-enyl)-3-methylaniline (PubChem CID 142117725) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(3-ethylhex-3-enyl)-3-methylaniline.

Molecular Properties

Compound NameN-(3-ethylhex-3-enyl)-3-methylaniline
PubChem CID142117725
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(3-ethylhex-3-enyl)-3-methylaniline
SMILESCCC=C(CC)CCNc1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-7-14(5-2)10-11-16-15-9-6-8-13(3)12-15/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyCWKZUGWHHCFZQW-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methylanilino)hexan-3-one
CID 10798292
ethyl 3-(3-methylanilino)propanimidate
CID 45097004
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
CID 94283002
N-butyl-3-methylaniline;phenol
CID 18006904
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylhex-3-enyl)-3-methylaniline?
The IUPAC name of N-(3-ethylhex-3-enyl)-3-methylaniline (CID 142117725) is N-(3-ethylhex-3-enyl)-3-methylaniline.
What is the SMILES notation for N-(3-ethylhex-3-enyl)-3-methylaniline?
The canonical SMILES for N-(3-ethylhex-3-enyl)-3-methylaniline is CCC=C(CC)CCNc1cccc(C)c1.
What is the InChIKey of N-(3-ethylhex-3-enyl)-3-methylaniline?
The InChIKey is CWKZUGWHHCFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-7-14(5-2)10-11-16-15-9-6-8-13(3)12-15/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-(3-ethylhex-3-enyl)-3-methylaniline?
N-(3-ethylhex-3-enyl)-3-methylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylhex-3-enyl)-3-methylaniline is sourced from PubChem (CID 142117725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).