N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline

C14H17N — CID 144905382

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline
SMILESC=C/C(=C\C=C/C)Nc1cccc(C)c1
InChIInChI=1S/C14H17N/c1-4-6-9-13(5-2)15-14-10-7-8-12(3)11-14/h4-11,15H,2H2,1,3H3/b6-4-,13-9+
InChIKeyWSJMPQDRJXMBKZ-WZSXDBPKSA-N
MW199.30 g/mol
LogP4.05
Rot. Bonds4

About N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline (PubChem CID 144905382) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline
PubChem CID144905382
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline
SMILESC=C/C(=C\C=C/C)Nc1cccc(C)c1
InChIInChI=1S/C14H17N/c1-4-6-9-13(5-2)15-14-10-7-8-12(3)11-14/h4-11,15H,2H2,1,3H3/b6-4-,13-9+
InChIKeyWSJMPQDRJXMBKZ-WZSXDBPKSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.05
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

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CID 71411235
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1-(3-methylphenyl)-3-prop-2-enylthiourea
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(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide
CID 177358769
(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide
CID 143322990
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
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N-(3-methylphenyl)ethenesulfonamide
CID 58724758

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline (CID 144905382) is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline is C=C/C(=C\C=C/C)Nc1cccc(C)c1.
What is the InChIKey of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline?
The InChIKey is WSJMPQDRJXMBKZ-WZSXDBPKSA-N. The full InChI is InChI=1S/C14H17N/c1-4-6-9-13(5-2)15-14-10-7-8-12(3)11-14/h4-11,15H,2H2,1,3H3/b6-4-,13-9+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline?
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline has a molecular weight of 199.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline is sourced from PubChem (CID 144905382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).