N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline

C28H33N — CID 145159728

IUPACN-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline
SMILESC=C/C=C\C1=C(C)C(=C)/C(=C\C(=C/C)Nc2ccc(/C(C=C)=C/C)cc2)C1(C)C
InChIInChI=1S/C28H33N/c1-9-13-14-26-20(5)21(6)27(28(26,7)8)19-24(12-4)29-25-17-15-23(16-18-25)22(10-2)11-3/h9-19,29H,1-2,6H2,3-5,7-8H3/b14-13-,22-11+,24-12+,27-19+
InChIKeyCKVCRMHRSSIPNT-ZHARLGFGSA-N
MW383.58 g/mol
LogP8.17
Rot. Bonds7

About N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline

N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline (PubChem CID 145159728) has the molecular formula C28H33N and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline.

Molecular Properties

Compound NameN-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline
PubChem CID145159728
Molecular FormulaC28H33N
Molecular Weight383.58 g/mol
Exact Mass383.26
IUPAC NameN-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline
SMILESC=C/C=C\C1=C(C)C(=C)/C(=C\C(=C/C)Nc2ccc(/C(C=C)=C/C)cc2)C1(C)C
InChIInChI=1S/C28H33N/c1-9-13-14-26-20(5)21(6)27(28(26,7)8)19-24(12-4)29-25-17-15-23(16-18-25)22(10-2)11-3/h9-19,29H,1-2,6H2,3-5,7-8H3/b14-13-,22-11+,24-12+,27-19+
InChIKeyCKVCRMHRSSIPNT-ZHARLGFGSA-N
XLogP8.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455
ethane;2-ethenyl-N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-amine
CID 153374290
N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide
CID 143404677
ethane;N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 143322906
[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434
ethene;(6Z)-8-methylidene-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-2,3-dihydro-1H-diazocine
CID 145080157
N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide
CID 146588289
2-[(1Z)-buta-1,3-dienyl]-1,3,7-trimethyl-1-[(3Z)-penta-1,3-dien-2-yl]indene
CID 153369354
1-(3-methylpentan-3-yl)-4-[(3E)-penta-1,3-dien-3-yl]benzene
CID 143318084
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
CID 145073167
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
CID 142183430

Frequently Asked Questions

What is the IUPAC name of N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline?
The IUPAC name of N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline (CID 145159728) is N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline.
What is the SMILES notation for N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline?
The canonical SMILES for N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline is C=C/C=C\C1=C(C)C(=C)/C(=C\C(=C/C)Nc2ccc(/C(C=C)=C/C)cc2)C1(C)C.
What is the InChIKey of N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline?
The InChIKey is CKVCRMHRSSIPNT-ZHARLGFGSA-N. The full InChI is InChI=1S/C28H33N/c1-9-13-14-26-20(5)21(6)27(28(26,7)8)19-24(12-4)29-25-17-15-23(16-18-25)22(10-2)11-3/h9-19,29H,1-2,6H2,3-5,7-8H3/b14-13-,22-11+,24-12+,27-19+.
What are the key properties of N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline?
N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline has a molecular weight of 383.58 g/mol, XLogP of 8.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1Z)-1-[3-[(1Z)-buta-1,3-dienyl]-2,2,4-trimethyl-5-methylidenecyclopent-3-en-1-ylidene]but-2-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]aniline is sourced from PubChem (CID 145159728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).