3,3,7,7-tetramethylcycloheptane-1,2-diimine

C11H20N2 — CID 3475486

IUPAC3,3,7,7-tetramethylcycloheptane-1,2-diimine
SMILES[H]/N=C1C(=N\[H])\C(C)(C)CCCC\1(C)C
InChIInChI=1S/C11H20N2/c1-10(2)6-5-7-11(3,4)9(13)8(10)12/h12-13H,5-7H2,1-4H3/b12-8-,13-9+
InChIKeyYQZLUHIVBMMFNQ-QRBCZBMESA-N
MW180.30 g/mol
LogP3.26
Rot. Bonds

About 3,3,7,7-tetramethylcycloheptane-1,2-diimine

3,3,7,7-tetramethylcycloheptane-1,2-diimine (PubChem CID 3475486) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 3,3,7,7-tetramethylcycloheptane-1,2-diimine.

Molecular Properties

Compound Name3,3,7,7-tetramethylcycloheptane-1,2-diimine
PubChem CID3475486
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name3,3,7,7-tetramethylcycloheptane-1,2-diimine
SMILES[H]/N=C1C(=N\[H])\C(C)(C)CCCC\1(C)C
InChIInChI=1S/C11H20N2/c1-10(2)6-5-7-11(3,4)9(13)8(10)12/h12-13H,5-7H2,1-4H3/b12-8-,13-9+
InChIKeyYQZLUHIVBMMFNQ-QRBCZBMESA-N
XLogP3.26
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,7,7-tetramethylcycloheptane-1,2-diimine?
The IUPAC name of 3,3,7,7-tetramethylcycloheptane-1,2-diimine (CID 3475486) is 3,3,7,7-tetramethylcycloheptane-1,2-diimine.
What is the SMILES notation for 3,3,7,7-tetramethylcycloheptane-1,2-diimine?
The canonical SMILES for 3,3,7,7-tetramethylcycloheptane-1,2-diimine is [H]/N=C1C(=N\[H])\C(C)(C)CCCC\1(C)C.
What is the InChIKey of 3,3,7,7-tetramethylcycloheptane-1,2-diimine?
The InChIKey is YQZLUHIVBMMFNQ-QRBCZBMESA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)6-5-7-11(3,4)9(13)8(10)12/h12-13H,5-7H2,1-4H3/b12-8-,13-9+.
What are the key properties of 3,3,7,7-tetramethylcycloheptane-1,2-diimine?
3,3,7,7-tetramethylcycloheptane-1,2-diimine has a molecular weight of 180.30 g/mol, XLogP of 3.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7-tetramethylcycloheptane-1,2-diimine is sourced from PubChem (CID 3475486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).