(6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine

C29H49N3 — CID 155358670

IUPAC(6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine
SMILESC=C/C=C(\CC=C(C)C)CC(C)CCCN(CC)CCCCN1CNC(=C/C)/C1=C\C=C
InChIInChI=1S/C29H49N3/c1-8-15-27(19-18-25(5)6)23-26(7)17-14-21-31(11-4)20-12-13-22-32-24-30-28(10-3)29(32)16-9-2/h8-10,15-16,18,26,30H,1-2,11-14,17,19-24H2,3-7H3/b27-15+,28-10+,29-16+
InChIKeyASTKMZQQLMQSNX-IJIZUFTFSA-N
MW439.73 g/mol
LogP7.20
Rot. Bonds16

About (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine

(6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine (PubChem CID 155358670) has the molecular formula C29H49N3 and a molecular weight of 439.73 g/mol. Its IUPAC name is (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine.

Molecular Properties

Compound Name(6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine
PubChem CID155358670
Molecular FormulaC29H49N3
Molecular Weight439.73 g/mol
Exact Mass439.39
IUPAC Name(6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine
SMILESC=C/C=C(\CC=C(C)C)CC(C)CCCN(CC)CCCCN1CNC(=C/C)/C1=C\C=C
InChIInChI=1S/C29H49N3/c1-8-15-27(19-18-25(5)6)23-26(7)17-14-21-31(11-4)20-12-13-22-32-24-30-28(10-3)29(32)16-9-2/h8-10,15-16,18,26,30H,1-2,11-14,17,19-24H2,3-7H3/b27-15+,28-10+,29-16+
InChIKeyASTKMZQQLMQSNX-IJIZUFTFSA-N
XLogP7.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.73
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine 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-[(2Z,4E)-1-[[(1R)-1-(3-amino-2-methylcyclohexa-2,4-dien-1-yl)ethyl]amino]-5-fluorohexa-2,4-dien-3-yl]-N-methylimidazolidin-2-amine
CID 172239173
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-N'-[2-amino-1-(1-prop-2-enylpyrrolidin-3-yl)ethyl]-1-N-[(4R)-4-methylcyclohexen-1-yl]propane-1,1-diamine
CID 118465702
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
1-[1-[2-(4-Ethylcyclohexa-1,3-dien-1-yl)-5-(4-ethyl-7,8-dimethylnona-1,5-dienyl)-2,3-dihydropyrrol-1-yl]ethenyl]piperazine
CID 123225076
1-(4,6-Dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123404948
2-[(2E,4E)-3,5-dimethyl-8-(5-methylcyclohepta-1,4,6-trien-1-yl)undeca-2,4-dien-2-yl]-3-methyl-5-prop-1-en-2-yl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 130216285
(3E,6E,8Z)-7-but-1-en-2-yl-3-ethyl-4-imidazolidin-1-yl-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-2-amine
CID 130374598
N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine
CID 138507681
(3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine
CID 138706199
2,3-dimethyl-7-propyldodeca-1,4-diene;(3Z)-5-methyl-3-pyrrolidin-1-ylhexa-1,3,5-trien-2-amine
CID 141801532
N-butyldecan-1-amine;ethane;N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine;(3E)-4-ethyl-3-(2-methylbutylidene)cyclohexene;3-methylpentane
CID 142013186

Frequently Asked Questions

What is the IUPAC name of (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine?
The IUPAC name of (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine (CID 155358670) is (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine.
What is the SMILES notation for (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine?
The canonical SMILES for (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine is C=C/C=C(\CC=C(C)C)CC(C)CCCN(CC)CCCCN1CNC(=C/C)/C1=C\C=C.
What is the InChIKey of (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine?
The InChIKey is ASTKMZQQLMQSNX-IJIZUFTFSA-N. The full InChI is InChI=1S/C29H49N3/c1-8-15-27(19-18-25(5)6)23-26(7)17-14-21-31(11-4)20-12-13-22-32-24-30-28(10-3)29(32)16-9-2/h8-10,15-16,18,26,30H,1-2,11-14,17,19-24H2,3-7H3/b27-15+,28-10+,29-16+.
What are the key properties of (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine?
(6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine has a molecular weight of 439.73 g/mol, XLogP of 7.20, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-ethyl-N-[4-[(4E,5E)-4-ethylidene-5-prop-2-enylideneimidazolidin-1-yl]butyl]-4,9-dimethyl-6-prop-2-enylidenedec-8-en-1-amine is sourced from PubChem (CID 155358670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).