2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine

C12H20N2 — CID 123223270

IUPAC2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCC1=CC(C)(C)C=CC=C1
InChIInChI=1S/C12H20N2/c1-12(2)8-6-5-7-11(9-12)10-13-14(3)4/h5-9,13H,10H2,1-4H3
InChIKeyDMSRVUDNRXSGEA-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.13
Rot. Bonds3

About 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine

2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine (PubChem CID 123223270) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine
PubChem CID123223270
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCC1=CC(C)(C)C=CC=C1
InChIInChI=1S/C12H20N2/c1-12(2)8-6-5-7-11(9-12)10-13-14(3)4/h5-9,13H,10H2,1-4H3
InChIKeyDMSRVUDNRXSGEA-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine
CID 146550792
1-[(3,7-Difluorocyclohepta-1,3,6-trien-1-yl)methyl]-1,2-dimethylhydrazine
CID 166907397
2-ethyl-1-methyl-1-[(3E,5E)-octa-3,5-dienyl]hydrazine
CID 87095637
2-ethyl-1-methyl-1-[(2E,4E)-octa-2,4-dienyl]hydrazine
CID 87095749
[(Z,2E)-2-prop-2-enylidenehex-3-enyl]hydrazine
CID 87415364
[(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraenyl]hydrazine
CID 89118333
1-[(Z)-2-methylidenehex-3-enyl]-2-prop-2-enylhydrazine
CID 121419922
1-[(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine
CID 123192867
1,1-Bis(2-methylidenepent-3-enyl)-2-prop-2-enylhydrazine
CID 123543479
(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)methylhydrazine
CID 123813713
1-methyl-2-[(3Z,5Z)-3-methyl-2-methylidenehepta-3,5-dienyl]hydrazine
CID 126497356
(2-Methylcyclohepta-1,3,6-trien-1-yl)methylhydrazine
CID 134457925

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine (CID 123223270) is 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine is CN(C)NCC1=CC(C)(C)C=CC=C1.
What is the InChIKey of 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine?
The InChIKey is DMSRVUDNRXSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2)8-6-5-7-11(9-12)10-13-14(3)4/h5-9,13H,10H2,1-4H3.
What are the key properties of 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine?
2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine has a molecular weight of 192.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 123223270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).