6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine

C17H25N — CID 91130436

IUPAC6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C(C)C)C=CC(C)(C(=C=C)C(C)C)C1
InChIInChI=1S/C17H25N/c1-7-16(13(4)5)17(6)9-8-14(12(2)3)10-15(18)11-17/h8-10,12-13,18H,1,11H2,2-6H3/b18-15+
InChIKeySMBBAKOYTWFEPH-OBGWFSINSA-N
MW243.39 g/mol
LogP4.92
Rot. Bonds3

About 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine

6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine (PubChem CID 91130436) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
PubChem CID91130436
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C(C)C)C=CC(C)(C(=C=C)C(C)C)C1
InChIInChI=1S/C17H25N/c1-7-16(13(4)5)17(6)9-8-14(12(2)3)10-15(18)11-17/h8-10,12-13,18H,1,11H2,2-6H3/b18-15+
InChIKeySMBBAKOYTWFEPH-OBGWFSINSA-N
XLogP4.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine with MolForge

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Launch Full Analysis

Related Compounds

4-butan-2-ylidene-6-ethyl-9-[2-[6-(3-fluoro-2-methylpenta-1,4-dien-3-yl)-2H-borepin-3-yl]ethyl]-9,10-dimethyldodec-1-en-3-imine
CID 91266149
1-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]ethanimine
CID 135190461
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
CID 163505329
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
CID 166662523
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812
(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
CID 90720795
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
1-Cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine
CID 90856571

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine (CID 91130436) is 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine is [H]/N=C1\C=C(C(C)C)C=CC(C)(C(=C=C)C(C)C)C1.
What is the InChIKey of 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine?
The InChIKey is SMBBAKOYTWFEPH-OBGWFSINSA-N. The full InChI is InChI=1S/C17H25N/c1-7-16(13(4)5)17(6)9-8-14(12(2)3)10-15(18)11-17/h8-10,12-13,18H,1,11H2,2-6H3/b18-15+.
What are the key properties of 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine?
6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine has a molecular weight of 243.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 91130436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).