(4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine

C26H37N — CID 155175296

IUPAC(4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine
SMILESC=C/C(=C\C=C/C)CC(=C)N(C)CC(C(=C)C)C1CC1C1=CCCC=C1C
InChIInChI=1S/C26H37N/c1-8-10-14-22(9-2)16-21(6)27(7)18-26(19(3)4)25-17-24(25)23-15-12-11-13-20(23)5/h8-10,13-15,24-26H,2-3,6,11-12,16-18H2,1,4-5,7H3/b10-8-,22-14+
InChIKeyMVVPWWLXXOOPPM-NQDUNSFGSA-N
MW363.59 g/mol
LogP7.01
Rot. Bonds10

About (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine

(4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine (PubChem CID 155175296) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine
PubChem CID155175296
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name(4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine
SMILESC=C/C(=C\C=C/C)CC(=C)N(C)CC(C(=C)C)C1CC1C1=CCCC=C1C
InChIInChI=1S/C26H37N/c1-8-10-14-22(9-2)16-21(6)27(7)18-26(19(3)4)25-17-24(25)23-15-12-11-13-20(23)5/h8-10,13-15,24-26H,2-3,6,11-12,16-18H2,1,4-5,7H3/b10-8-,22-14+
InChIKeyMVVPWWLXXOOPPM-NQDUNSFGSA-N
XLogP7.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
N-[2-(4-fluoro-9,9-dimethylcyclononen-1-yl)ethyl]-N,3,5,5,6-pentamethyl-4-(3,7,8-trimethylnonan-2-yl)cyclohexa-1,3-dien-1-amine
CID 124035592
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
3-Fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine
CID 134377565
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
(2R)-1,6-diethyl-2-[(E,2S)-5-fluoro-3-methylhept-4-en-2-yl]-4-methylidene-2,3-dihydropyridine
CID 173863381
(3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine
CID 143486913
3-[[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-1-methyl-2H-pyridine
CID 54493781
2,6-Dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine
CID 67749560
(Z)-N-(1-cyclopropylethenyl)-N-ethenyl-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
CID 68302021

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine?
The IUPAC name of (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine (CID 155175296) is (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine?
The canonical SMILES for (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine is C=C/C(=C\C=C/C)CC(=C)N(C)CC(C(=C)C)C1CC1C1=CCCC=C1C.
What is the InChIKey of (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine?
The InChIKey is MVVPWWLXXOOPPM-NQDUNSFGSA-N. The full InChI is InChI=1S/C26H37N/c1-8-10-14-22(9-2)16-21(6)27(7)18-26(19(3)4)25-17-24(25)23-15-12-11-13-20(23)5/h8-10,13-15,24-26H,2-3,6,11-12,16-18H2,1,4-5,7H3/b10-8-,22-14+.
What are the key properties of (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine?
(4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine has a molecular weight of 363.59 g/mol, XLogP of 7.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine is sourced from PubChem (CID 155175296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).