2-(3-ethylpent-3-enyl)-4-methylaniline

C14H21N — CID 91048575

IUPAC2-(3-ethylpent-3-enyl)-4-methylaniline
SMILESCC=C(CC)CCc1cc(C)ccc1N
InChIInChI=1S/C14H21N/c1-4-12(5-2)7-8-13-10-11(3)6-9-14(13)15/h4,6,9-10H,5,7-8,15H2,1-3H3
InChIKeyCNJZDHQQULKHIK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.87
Rot. Bonds4

About 2-(3-ethylpent-3-enyl)-4-methylaniline

2-(3-ethylpent-3-enyl)-4-methylaniline (PubChem CID 91048575) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-(3-ethylpent-3-enyl)-4-methylaniline.

Molecular Properties

Compound Name2-(3-ethylpent-3-enyl)-4-methylaniline
PubChem CID91048575
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-(3-ethylpent-3-enyl)-4-methylaniline
SMILESCC=C(CC)CCc1cc(C)ccc1N
InChIInChI=1S/C14H21N/c1-4-12(5-2)7-8-13-10-11(3)6-9-14(13)15/h4,6,9-10H,5,7-8,15H2,1-3H3
InChIKeyCNJZDHQQULKHIK-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
4-methyl-2-(3-phosphanylidenebutyl)aniline
CID 90836095
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
1-(2-amino-4-methylphenyl)pentan-3-one;hydrochloride
CID 68905541
4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
CID 102455257
butane;4-methylbenzene-1,2-diamine
CID 138693326
2-[(dibenzylamino)methyl]-4-methylaniline
CID 130159961
butyl 2-(2-amino-5-methylphenyl)acetate
CID 99991630
4-chloro-2-propylaniline
CID 23348961
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931
2,4-dimethylaniline;methanol
CID 70633605

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpent-3-enyl)-4-methylaniline?
The IUPAC name of 2-(3-ethylpent-3-enyl)-4-methylaniline (CID 91048575) is 2-(3-ethylpent-3-enyl)-4-methylaniline.
What is the SMILES notation for 2-(3-ethylpent-3-enyl)-4-methylaniline?
The canonical SMILES for 2-(3-ethylpent-3-enyl)-4-methylaniline is CC=C(CC)CCc1cc(C)ccc1N.
What is the InChIKey of 2-(3-ethylpent-3-enyl)-4-methylaniline?
The InChIKey is CNJZDHQQULKHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-12(5-2)7-8-13-10-11(3)6-9-14(13)15/h4,6,9-10H,5,7-8,15H2,1-3H3.
What are the key properties of 2-(3-ethylpent-3-enyl)-4-methylaniline?
2-(3-ethylpent-3-enyl)-4-methylaniline has a molecular weight of 203.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpent-3-enyl)-4-methylaniline is sourced from PubChem (CID 91048575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).