2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine

C10H14N2 — CID 123835710

IUPAC2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C/C1=CCC(C)(C)C=C/C1=N\[H]
InChIInChI=1S/C10H14N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-4,6-7,11-12H,5H2,1-2H3/b11-7+,12-9+
InChIKeyXRRFBGMPFOFQHI-HNWKWBPYSA-N
MW162.24 g/mol
LogP2.57
Rot. Bonds1

About 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine

2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine (PubChem CID 123835710) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine
PubChem CID123835710
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C/C1=CCC(C)(C)C=C/C1=N\[H]
InChIInChI=1S/C10H14N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-4,6-7,11-12H,5H2,1-2H3/b11-7+,12-9+
InChIKeyXRRFBGMPFOFQHI-HNWKWBPYSA-N
XLogP2.57
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-5-methylhex-2-ene-1,4-diimine
CID 123164030
(Z)-5,5-dimethylhex-2-ene-1,4-diimine
CID 88945909
(Z)-2-tert-butylbut-2-ene-1,4-diimine
CID 89370188
2,5,5-Trimethylcyclohepta-2,6-dien-1-imine
CID 90693160
6,7,7-Trimethylcyclohepta-2,5-dien-1-imine
CID 90847674
3,3-dimethyl-2H-azepin-6-imine
CID 90915516
(Z)-5,5-dimethyl-4-methylidenehex-2-en-1-imine
CID 117849761
2,4,4-Trimethylcyclohepta-2,6-dien-1-imine
CID 123316029
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
3-Ethenylhepta-3,5-diene-1,2-diimine
CID 123395606
(2Z)-2-ethylidenehexane-1,3-diimine
CID 123483792
1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine
CID 123612288

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine (CID 123835710) is 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine is [H]/N=C/C1=CCC(C)(C)C=C/C1=N\[H].
What is the InChIKey of 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine?
The InChIKey is XRRFBGMPFOFQHI-HNWKWBPYSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-4,6-7,11-12H,5H2,1-2H3/b11-7+,12-9+.
What are the key properties of 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine?
2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine has a molecular weight of 162.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123835710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).