1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine

C31H52N2 — CID 123210654

IUPAC1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine
SMILESC=C(C)C(=C(C(=CC)C(C)C)N1CCN(C(C(=C)C(C)C)=C(C=CCC)C(C)C)C1)C(C)C
InChIInChI=1S/C31H52N2/c1-14-16-17-28(23(7)8)30(26(13)21(3)4)32-18-19-33(20-32)31(27(15-2)22(5)6)29(24(9)10)25(11)12/h15-17,21-23,25H,9,13-14,18-20H2,1-8,10-12H3
InChIKeyJHERGDYKKNNASX-UHFFFAOYSA-N
MW452.77 g/mol
LogP8.74
Rot. Bonds11

About 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine

1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine (PubChem CID 123210654) has the molecular formula C31H52N2 and a molecular weight of 452.77 g/mol. Its IUPAC name is 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine.

Molecular Properties

Compound Name1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine
PubChem CID123210654
Molecular FormulaC31H52N2
Molecular Weight452.77 g/mol
Exact Mass452.41
IUPAC Name1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine
SMILESC=C(C)C(=C(C(=CC)C(C)C)N1CCN(C(C(=C)C(C)C)=C(C=CCC)C(C)C)C1)C(C)C
InChIInChI=1S/C31H52N2/c1-14-16-17-28(23(7)8)30(26(13)21(3)4)32-18-19-33(20-32)31(27(15-2)22(5)6)29(24(9)10)25(11)12/h15-17,21-23,25H,9,13-14,18-20H2,1-8,10-12H3
InChIKeyJHERGDYKKNNASX-UHFFFAOYSA-N
XLogP8.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Methylhept-5-en-2-yl)-1,3-di(propan-2-yl)imidazolidine
CID 71175976
1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 88949326
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]imidazolidine
CID 89476074
1,3-bis[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
CID 89476077
1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine
CID 90070979
1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 90077035
1,2,2-Trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine
CID 90908562
1,2,2-Trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine
CID 91415324
1-(2-Methylcyclohexa-1,5-dien-1-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)imidazolidine
CID 117710236
1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine
CID 118533075
1-(4-Ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine
CID 122596953
1-[(2R)-2-methyl-2,3-dihydronaphthalen-1-yl]-3-[(7S)-7-methyl-6,7-dihydronaphthalen-1-yl]imidazolidine
CID 123208139

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine?
The IUPAC name of 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine (CID 123210654) is 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine.
What is the SMILES notation for 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine?
The canonical SMILES for 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine is C=C(C)C(=C(C(=CC)C(C)C)N1CCN(C(C(=C)C(C)C)=C(C=CCC)C(C)C)C1)C(C)C.
What is the InChIKey of 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine?
The InChIKey is JHERGDYKKNNASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52N2/c1-14-16-17-28(23(7)8)30(26(13)21(3)4)32-18-19-33(20-32)31(27(15-2)22(5)6)29(24(9)10)25(11)12/h15-17,21-23,25H,9,13-14,18-20H2,1-8,10-12H3.
What are the key properties of 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine?
1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine has a molecular weight of 452.77 g/mol, XLogP of 8.74, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine is sourced from PubChem (CID 123210654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).