4-propan-2-ylcyclohepta-2,4-dien-1-imine

C10H15N — CID 123981084

IUPAC4-propan-2-ylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(C(C)C)=CCC1
InChIInChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h4,6-8,11H,3,5H2,1-2H3/b11-10+
InChIKeyWNIUKJAGLGMWEG-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds1

About 4-propan-2-ylcyclohepta-2,4-dien-1-imine

4-propan-2-ylcyclohepta-2,4-dien-1-imine (PubChem CID 123981084) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-propan-2-ylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-propan-2-ylcyclohepta-2,4-dien-1-imine
PubChem CID123981084
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-propan-2-ylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(C(C)C)=CCC1
InChIInChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h4,6-8,11H,3,5H2,1-2H3/b11-10+
InChIKeyWNIUKJAGLGMWEG-ZHACJKMWSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14398589
Toluquinone diimine
CID 57641797
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CID 85894878
Dibenzocycloheptenimin
CID 129628903
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
3-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
CID 174289820
(4E)-2-methyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 176962621

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 4-propan-2-ylcyclohepta-2,4-dien-1-imine (CID 123981084) is 4-propan-2-ylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 4-propan-2-ylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 4-propan-2-ylcyclohepta-2,4-dien-1-imine is [H]/N=C1/C=CC(C(C)C)=CCC1.
What is the InChIKey of 4-propan-2-ylcyclohepta-2,4-dien-1-imine?
The InChIKey is WNIUKJAGLGMWEG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h4,6-8,11H,3,5H2,1-2H3/b11-10+.
What are the key properties of 4-propan-2-ylcyclohepta-2,4-dien-1-imine?
4-propan-2-ylcyclohepta-2,4-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123981084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).