N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide

C26H40N2 — CID 123705184

IUPACN'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(C)CC/N=C(\N/C=C/C(C)CCC=CC)C1=CC(C(C)=CCC)CC=C1
InChIInChI=1S/C26H40N2/c1-7-9-10-13-22(5)17-19-28-26(27-18-16-21(3)4)25-15-11-14-24(20-25)23(6)12-8-2/h7,9,11-12,15,17,19-20,22,24H,3,8,10,13-14,16,18H2,1-2,4-6H3,(H,27,28)/b9-7?,19-17+,23-12?
InChIKeyGZRKEIDMNBTEDZ-ZRPRHTPFSA-N
MW380.62 g/mol
LogP7.31
Rot. Bonds11

About N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide

N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 123705184) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID123705184
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC NameN'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(C)CC/N=C(\N/C=C/C(C)CCC=CC)C1=CC(C(C)=CCC)CC=C1
InChIInChI=1S/C26H40N2/c1-7-9-10-13-22(5)17-19-28-26(27-18-16-21(3)4)25-15-11-14-24(20-25)23(6)12-8-2/h7,9,11-12,15,17,19-20,22,24H,3,8,10,13-14,16,18H2,1-2,4-6H3,(H,27,28)/b9-7?,19-17+,23-12?
InChIKeyGZRKEIDMNBTEDZ-ZRPRHTPFSA-N
XLogP7.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[1-[[(2E)-1-amino-2-fluoro-4-methylpenta-2,4-dienylidene]amino]propan-2-yl]-N-ethenyl-N'-methylpent-2-enimidamide
CID 124016420
(5Z)-N-ethenyl-5-(2-methylbutylidene)-3,4-dihydro-2H-pyridin-6-amine
CID 90689208
2-(4-Methylcyclohexen-1-yl)-1,4-dihydropyrimidine
CID 123240186
N'-methyl-N-[2-(methylideneamino)-2-(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)ethenyl]butanimidamide
CID 123663052
N-ethenyl-N',6,7-trimethyl-5-[1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethyl]cyclohepta-1,3,5-triene-1-carboximidamide
CID 123666018
N-[C-ethenyl-N-(2-methylbut-2-enyl)carbonimidoyl]-N'-methyl-4-(6-methylhepta-4,6-dien-2-yl)cyclohexa-1,4-diene-1-carboximidamide
CID 123916132
2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide
CID 126593883
(3E)-3-[(E)-3-[(Z)-but-1-enyl]-5-methylhept-3-en-2-ylidene]-N-ethenylpyrrol-2-amine
CID 126660952
(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine
CID 129179105
(3Z)-N-ethenyl-3-(3-methyl-2-methylidenebutylidene)pyrrol-2-amine
CID 130179056
(3Z)-N-ethenyl-3-(4-methylpent-1-en-3-ylidene)pyrrol-2-amine
CID 130179057
(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide
CID 134450662

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide (CID 123705184) is N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide is C=C(C)CC/N=C(\N/C=C/C(C)CCC=CC)C1=CC(C(C)=CCC)CC=C1.
What is the InChIKey of N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is GZRKEIDMNBTEDZ-ZRPRHTPFSA-N. The full InChI is InChI=1S/C26H40N2/c1-7-9-10-13-22(5)17-19-28-26(27-18-16-21(3)4)25-15-11-14-24(20-25)23(6)12-8-2/h7,9,11-12,15,17,19-20,22,24H,3,8,10,13-14,16,18H2,1-2,4-6H3,(H,27,28)/b9-7?,19-17+,23-12?.
What are the key properties of N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide?
N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 380.62 g/mol, XLogP of 7.31, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 123705184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).