methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine

C12H21N3 — CID 143681794

IUPACmethanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine
SMILESCN(C)C1=C(N)C=CC(C)(C)C=C1.[H]N=C
InChIInChI=1S/C11H18N2.CH3N/c1-11(2)7-5-9(12)10(6-8-11)13(3)4;1-2/h5-8H,12H2,1-4H3;2H,1H2
InChIKeySCBVLZCGBOVKDY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds1

About methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine

methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine (PubChem CID 143681794) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine.

Molecular Properties

Compound Namemethanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine
PubChem CID143681794
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Namemethanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine
SMILESCN(C)C1=C(N)C=CC(C)(C)C=C1.[H]N=C
InChIInChI=1S/C11H18N2.CH3N/c1-11(2)7-5-9(12)10(6-8-11)13(3)4;1-2/h5-8H,12H2,1-4H3;2H,1H2
InChIKeySCBVLZCGBOVKDY-UHFFFAOYSA-N
XLogP2.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
The IUPAC name of methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine (CID 143681794) is methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine.
What is the SMILES notation for methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
The canonical SMILES for methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine is CN(C)C1=C(N)C=CC(C)(C)C=C1.[H]N=C.
What is the InChIKey of methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
The InChIKey is SCBVLZCGBOVKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.CH3N/c1-11(2)7-5-9(12)10(6-8-11)13(3)4;1-2/h5-8H,12H2,1-4H3;2H,1H2.
What are the key properties of methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine is sourced from PubChem (CID 143681794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).