4-(6-methylhepta-1,5-dien-2-yl)aniline

C14H19N — CID 142186727

IUPAC4-(6-methylhepta-1,5-dien-2-yl)aniline
SMILESC=C(CCC=C(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H19N/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7-10H,3-4,6,15H2,1-2H3
InChIKeyXGEPQVGYMYBLMN-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.03
Rot. Bonds4

About 4-(6-methylhepta-1,5-dien-2-yl)aniline

4-(6-methylhepta-1,5-dien-2-yl)aniline (PubChem CID 142186727) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(6-methylhepta-1,5-dien-2-yl)aniline.

Molecular Properties

Compound Name4-(6-methylhepta-1,5-dien-2-yl)aniline
PubChem CID142186727
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-(6-methylhepta-1,5-dien-2-yl)aniline
SMILESC=C(CCC=C(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H19N/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7-10H,3-4,6,15H2,1-2H3
InChIKeyXGEPQVGYMYBLMN-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.03
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

[(2E)-3,7-dimethylocta-2,6-dienyl] 4-aminobenzoate
CID 18604951
4-(4,4-dimethylpent-1-en-2-yl)aniline
CID 166727907
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
CID 57250345
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene
CID 102207934
4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 134365137
2-bromo-6-methylhepta-1,5-diene
CID 12000295
1-(4-bromophenyl)-2,7-dimethyl-3-methylideneoct-6-en-1-one
CID 102578119
4-(4-methoxyphenyl)pent-4-enal
CID 102505314
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
4-(1-ethoxyethenyl)aniline
CID 90447713
4-(3-methylbut-3-enyl)aniline
CID 126710999
4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide
CID 9070857

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylhepta-1,5-dien-2-yl)aniline?
The IUPAC name of 4-(6-methylhepta-1,5-dien-2-yl)aniline (CID 142186727) is 4-(6-methylhepta-1,5-dien-2-yl)aniline.
What is the SMILES notation for 4-(6-methylhepta-1,5-dien-2-yl)aniline?
The canonical SMILES for 4-(6-methylhepta-1,5-dien-2-yl)aniline is C=C(CCC=C(C)C)c1ccc(N)cc1.
What is the InChIKey of 4-(6-methylhepta-1,5-dien-2-yl)aniline?
The InChIKey is XGEPQVGYMYBLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7-10H,3-4,6,15H2,1-2H3.
What are the key properties of 4-(6-methylhepta-1,5-dien-2-yl)aniline?
4-(6-methylhepta-1,5-dien-2-yl)aniline has a molecular weight of 201.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylhepta-1,5-dien-2-yl)aniline is sourced from PubChem (CID 142186727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).