N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline

C15H21N — CID 134513247

IUPACN-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline
SMILESCCC(/C=C\Nc1ccccc1)=C/C(C)C
InChIInChI=1S/C15H21N/c1-4-14(12-13(2)3)10-11-16-15-8-6-5-7-9-15/h5-13,16H,4H2,1-3H3/b11-10-,14-12-
InChIKeyYMMHHPDNAHMCMQ-QDUUWUCGSA-N
MW215.34 g/mol
LogP4.60
Rot. Bonds5

About N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline

N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline (PubChem CID 134513247) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline
PubChem CID134513247
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline
SMILESCCC(/C=C\Nc1ccccc1)=C/C(C)C
InChIInChI=1S/C15H21N/c1-4-14(12-13(2)3)10-11-16-15-8-6-5-7-9-15/h5-13,16H,4H2,1-3H3/b11-10-,14-12-
InChIKeyYMMHHPDNAHMCMQ-QDUUWUCGSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(N-prop-1-enylaniline)
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(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one
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2-anilinoethenol
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CID 103235814
(E)-1-anilino-2-methylpent-1-en-3-one
CID 102121591
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
(E)-3-anilino-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 139030211
[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium
CID 58771556
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline?
The IUPAC name of N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline (CID 134513247) is N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline.
What is the SMILES notation for N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline?
The canonical SMILES for N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline is CCC(/C=C\Nc1ccccc1)=C/C(C)C.
What is the InChIKey of N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline?
The InChIKey is YMMHHPDNAHMCMQ-QDUUWUCGSA-N. The full InChI is InChI=1S/C15H21N/c1-4-14(12-13(2)3)10-11-16-15-8-6-5-7-9-15/h5-13,16H,4H2,1-3H3/b11-10-,14-12-.
What are the key properties of N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline?
N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline has a molecular weight of 215.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline is sourced from PubChem (CID 134513247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).