N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide

C33H48N4 — CID 145432316

IUPACN'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide
SMILESC=C(CC(C)C)N1CCC(c2ccc3[nH]c(C(/C=C\C(CC)=N\C(C)=N\C)=C/C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C33H48N4/c1-10-26(12-14-29(11-2)35-25(8)34-9)33-32(23(5)6)30-21-28(13-15-31(30)36-33)27-16-18-37(19-17-27)24(7)20-22(3)4/h10,12-15,21-23,27,36H,7,11,16-20H2,1-6,8-9H3/b14-12-,26-10+,34-25+,35-29+
InChIKeyISVWQXLXKLDEGL-LRYVSIEGSA-N
MW500.78 g/mol
LogP8.89
Rot. Bonds9

About N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide

N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide (PubChem CID 145432316) has the molecular formula C33H48N4 and a molecular weight of 500.78 g/mol. Its IUPAC name is N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide
PubChem CID145432316
Molecular FormulaC33H48N4
Molecular Weight500.78 g/mol
Exact Mass500.39
IUPAC NameN'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide
SMILESC=C(CC(C)C)N1CCC(c2ccc3[nH]c(C(/C=C\C(CC)=N\C(C)=N\C)=C/C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C33H48N4/c1-10-26(12-14-29(11-2)35-25(8)34-9)33-32(23(5)6)30-21-28(13-15-31(30)36-33)27-16-18-37(19-17-27)24(7)20-22(3)4/h10,12-15,21-23,27,36H,7,11,16-20H2,1-6,8-9H3/b14-12-,26-10+,34-25+,35-29+
InChIKeyISVWQXLXKLDEGL-LRYVSIEGSA-N
XLogP8.89
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.78
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide 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

N-[(4Z,6E)-6-[3-(2,2-difluoroethyl)-5-[1-(4-hydroxy-4-methylpent-1-en-2-yl)piperidin-4-yl]-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide
CID 145431858
2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134343762
acetylene;5-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[(4E)-2-methylhepta-2,4-dien-4-yl]-3-propan-2-yl-1H-indole
CID 142302336
[4-[2-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 142302550
5-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indole
CID 142302432
2-[(3E,5E)-2-methyl-6-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-4-yl]-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134343761
3-[methyl(propyl)amino]-1-[4-[3-propan-2-yl-2-[(4E,6E)-2,6,7-trimethylnona-2,4,6-trien-4-yl]-1H-indol-5-yl]piperidin-1-yl]propan-1-one
CID 142302510
2-[4-[2-[(2E,4Z)-5-methyl-6-(methyliminomethylimino)hepta-2,4-dien-3-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-propylacetamide
CID 145432088
2-(dimethylamino)-1-[4-[2-[(3E,5E,7R)-6-methoxy-7-methylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134343693
[4-[2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-[(2S,4S)-4-fluoropyrrolidin-2-yl]methanone
CID 142302417
1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 142302558
1-(3,3-difluoroazetidin-1-yl)-2-[4-[2-[(2E,4E)-6-imino-5-methoxyocta-2,4-dien-3-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 145432116

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide?
The IUPAC name of N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide (CID 145432316) is N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide is C=C(CC(C)C)N1CCC(c2ccc3[nH]c(C(/C=C\C(CC)=N\C(C)=N\C)=C/C)c(C(C)C)c3c2)CC1.
What is the InChIKey of N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide?
The InChIKey is ISVWQXLXKLDEGL-LRYVSIEGSA-N. The full InChI is InChI=1S/C33H48N4/c1-10-26(12-14-29(11-2)35-25(8)34-9)33-32(23(5)6)30-21-28(13-15-31(30)36-33)27-16-18-37(19-17-27)24(7)20-22(3)4/h10,12-15,21-23,27,36H,7,11,16-20H2,1-6,8-9H3/b14-12-,26-10+,34-25+,35-29+.
What are the key properties of N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide?
N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide has a molecular weight of 500.78 g/mol, XLogP of 8.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4Z,6E)-6-[5-[1-(4-methylpent-1-en-2-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]octa-4,6-dien-3-ylidene]ethanimidamide is sourced from PubChem (CID 145432316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).