2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine

C25H39N — CID 142120798

IUPAC2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine
SMILESC=C=CCC(CC(C)CCN1CCCC1(C)C)C1=C/C=C\CC/C(C)=C\1
InChIInChI=1S/C25H39N/c1-6-7-13-23(24-14-10-8-9-12-21(2)19-24)20-22(3)15-18-26-17-11-16-25(26,4)5/h7-8,10,14,19,22-23H,1,9,11-13,15-18,20H2,2-5H3/b10-8-,21-19-,24-14+
InChIKeyCILHFOBTLASYDZ-DLPQRABKSA-N
MW353.59 g/mol
LogP6.85
Rot. Bonds8

About 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine

2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine (PubChem CID 142120798) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine
PubChem CID142120798
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Name2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine
SMILESC=C=CCC(CC(C)CCN1CCCC1(C)C)C1=C/C=C\CC/C(C)=C\1
InChIInChI=1S/C25H39N/c1-6-7-13-23(24-14-10-8-9-12-21(2)19-24)20-22(3)15-18-26-17-11-16-25(26,4)5/h7-8,10,14,19,22-23H,1,9,11-13,15-18,20H2,2-5H3/b10-8-,21-19-,24-14+
InChIKeyCILHFOBTLASYDZ-DLPQRABKSA-N
XLogP6.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine 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

3-(4-Ethyl-2-fluorocyclohepta-2,4-dien-1-yl)-1-(1-methylcyclobutyl)pyrrolidine
CID 134591601
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
CID 145351260
(4E,5E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine
CID 166796398
(4E)-4-ethylidene-5-(1-fluoroethylidene)-1,2-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-2-yl]pyrrolidine
CID 174090454
(3R)-1-tert-butyl-3-[(5E)-3,5-difluoroocta-1,5-dien-2-yl]pyrrolidine
CID 142948092
(8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine
CID 101415670
N-butyl-N-[2-[4,5-di(pentan-3-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295272
N-butyl-N-[2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295279
N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295287
2-[4,5-di(pentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 53694581
2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 53757345
2-[4,5-di(butan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 54056769

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine?
The IUPAC name of 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine (CID 142120798) is 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine.
What is the SMILES notation for 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine?
The canonical SMILES for 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine is C=C=CCC(CC(C)CCN1CCCC1(C)C)C1=C/C=C\CC/C(C)=C\1.
What is the InChIKey of 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine?
The InChIKey is CILHFOBTLASYDZ-DLPQRABKSA-N. The full InChI is InChI=1S/C25H39N/c1-6-7-13-23(24-14-10-8-9-12-21(2)19-24)20-22(3)15-18-26-17-11-16-25(26,4)5/h7-8,10,14,19,22-23H,1,9,11-13,15-18,20H2,2-5H3/b10-8-,21-19-,24-14+.
What are the key properties of 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine?
2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine has a molecular weight of 353.59 g/mol, XLogP of 6.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-methyl-5-[(1Z,3Z,7E)-7-methylcycloocta-1,3,7-trien-1-yl]nona-7,8-dienyl]pyrrolidine is sourced from PubChem (CID 142120798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).