N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline

C17H23N — CID 144569144

IUPACN-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline
SMILESC/C=C\C=C(/CC)N(/C=C/C)c1ccc(C)cc1
InChIInChI=1S/C17H23N/c1-5-8-9-16(7-3)18(14-6-2)17-12-10-15(4)11-13-17/h5-6,8-14H,7H2,1-4H3/b8-5-,14-6+,16-9+
InChIKeyCIIBKDHVLJWENT-VDHVAUKPSA-N
MW241.38 g/mol
LogP5.21
Rot. Bonds5

About N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline

N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline (PubChem CID 144569144) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline
PubChem CID144569144
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline
SMILESC/C=C\C=C(/CC)N(/C=C/C)c1ccc(C)cc1
InChIInChI=1S/C17H23N/c1-5-8-9-16(7-3)18(14-6-2)17-12-10-15(4)11-13-17/h5-6,8-14H,7H2,1-4H3/b8-5-,14-6+,16-9+
InChIKeyCIIBKDHVLJWENT-VDHVAUKPSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881144
ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881143
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
CID 144905375
ethane;3-fluoro-N-[(3E,5Z)-hepta-3,5-dien-3-yl]-N-phenylaniline
CID 145203867
N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide
CID 131881565
(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide
CID 131636948
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline
CID 144619681
ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
CID 144687223
1-methyl-4-[(3E,5Z)-octa-3,5,7-trien-3-yl]benzene
CID 144661005

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline?
The IUPAC name of N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline (CID 144569144) is N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline?
The canonical SMILES for N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline is C/C=C\C=C(/CC)N(/C=C/C)c1ccc(C)cc1.
What is the InChIKey of N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline?
The InChIKey is CIIBKDHVLJWENT-VDHVAUKPSA-N. The full InChI is InChI=1S/C17H23N/c1-5-8-9-16(7-3)18(14-6-2)17-12-10-15(4)11-13-17/h5-6,8-14H,7H2,1-4H3/b8-5-,14-6+,16-9+.
What are the key properties of N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline?
N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline has a molecular weight of 241.38 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 144569144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).