4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine

C14H19N — CID 91151318

IUPAC4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine
SMILES[H]/N=C/C(=C)C=C(C)C1C=CC=CCC1C
InChIInChI=1S/C14H19N/c1-11(10-15)9-13(3)14-8-6-4-5-7-12(14)2/h4-6,8-10,12,14-15H,1,7H2,2-3H3/b13-9?,15-10+
InChIKeyOTYLAZMITAVTAI-WAGGCFASSA-N
MW201.31 g/mol
LogP3.91
Rot. Bonds3

About 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine

4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine (PubChem CID 91151318) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine.

Molecular Properties

Compound Name4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine
PubChem CID91151318
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine
SMILES[H]/N=C/C(=C)C=C(C)C1C=CC=CCC1C
InChIInChI=1S/C14H19N/c1-11(10-15)9-13(3)14-8-6-4-5-7-12(14)2/h4-6,8-10,12,14-15H,1,7H2,2-3H3/b13-9?,15-10+
InChIKeyOTYLAZMITAVTAI-WAGGCFASSA-N
XLogP3.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-ethyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 88562249
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
7-Ethyl-3-methyl-2-methylidenenon-6-en-1-imine
CID 89282931
(2Z)-5-methyl-2-(2-methylpropyl)hexa-2,4-dien-1-imine
CID 89771741
(2Z,4E)-5-[(1R,2R)-2-methylcyclopropyl]hexa-2,4-dien-1-imine
CID 89796590
(2Z,4Z)-2,4-dimethyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 89892212
3-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 89893781
(Z)-3-(6-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 90394680
4,5-Dimethyl-2-methylidenedeca-3,7-dien-9-yn-1-imine
CID 90872206
6-Methyl-4-methylidenehept-2-en-1-imine
CID 91328344
4-Cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-1-imine
CID 91615402
(Z)-3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine
CID 117615153

Frequently Asked Questions

What is the IUPAC name of 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine?
The IUPAC name of 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine (CID 91151318) is 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine.
What is the SMILES notation for 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine?
The canonical SMILES for 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine is [H]/N=C/C(=C)C=C(C)C1C=CC=CCC1C.
What is the InChIKey of 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine?
The InChIKey is OTYLAZMITAVTAI-WAGGCFASSA-N. The full InChI is InChI=1S/C14H19N/c1-11(10-15)9-13(3)14-8-6-4-5-7-12(14)2/h4-6,8-10,12,14-15H,1,7H2,2-3H3/b13-9?,15-10+.
What are the key properties of 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine?
4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine has a molecular weight of 201.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine is sourced from PubChem (CID 91151318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).