3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine

C12H19N — CID 168914337

IUPAC3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine
SMILES[H]/N=C1/C(=C(C)C)C(C)=CCCC1C
InChIInChI=1S/C12H19N/c1-8(2)11-9(3)6-5-7-10(4)12(11)13/h6,10,13H,5,7H2,1-4H3/b13-12+
InChIKeyRMVHDWDFWOMNIM-OUKQBFOZSA-N
MW177.29 g/mol
LogP3.72
Rot. Bonds

About 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine

3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine (PubChem CID 168914337) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine.

Molecular Properties

Compound Name3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine
PubChem CID168914337
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine
SMILES[H]/N=C1/C(=C(C)C)C(C)=CCCC1C
InChIInChI=1S/C12H19N/c1-8(2)11-9(3)6-5-7-10(4)12(11)13/h6,10,13H,5,7H2,1-4H3/b13-12+
InChIKeyRMVHDWDFWOMNIM-OUKQBFOZSA-N
XLogP3.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.72
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

(5S)-1,5-dimethyl-6-methylidenecyclohexene
CID 163946198
(5S)-5-methylcyclopentene-1-carbaldehyde
CID 101259456
1-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
CID 527185
4-methyl-3-propan-2-ylidenecyclohexene
CID 564722
2-hydroxy-6-methylcyclohex-2-en-1-one
CID 14494141
1-fluoro-3,7-dimethylcyclohepta-1,3-diene
CID 145318175
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 163245070
2,4-dimethyl-5,6-dihydro-4H-indene
CID 139810166
4a,5-dimethyl-3-(3-methylbut-2-en-2-yl)-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587135
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 169233651
3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine
CID 57068705

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine?
The IUPAC name of 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine (CID 168914337) is 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine.
What is the SMILES notation for 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine?
The canonical SMILES for 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine is [H]/N=C1/C(=C(C)C)C(C)=CCCC1C.
What is the InChIKey of 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine?
The InChIKey is RMVHDWDFWOMNIM-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H19N/c1-8(2)11-9(3)6-5-7-10(4)12(11)13/h6,10,13H,5,7H2,1-4H3/b13-12+.
What are the key properties of 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine?
3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine is sourced from PubChem (CID 168914337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).