zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane

C13H26N2Zn — CID 177486830

IUPACzinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane
SMILESCN(C)[N-]C1=CCCCCC1.C[C-](C)C.[Zn+2]
InChIInChI=1S/C9H17N2.C4H9.Zn/c1-11(2)10-9-7-5-3-4-6-8-9;1-4(2)3;/h7H,3-6,8H2,1-2H3;1-3H3;/q2*-1;+2
InChIKeyYZLQGJXAWYFFAA-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.30
Rot. Bonds2

About zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane

zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane (PubChem CID 177486830) has the molecular formula C13H26N2Zn and a molecular weight of 275.75 g/mol. Its IUPAC name is zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane.

Molecular Properties

Compound Namezinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane
PubChem CID177486830
Molecular FormulaC13H26N2Zn
Molecular Weight275.75 g/mol
Exact Mass274.14
IUPAC Namezinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane
SMILESCN(C)[N-]C1=CCCCCC1.C[C-](C)C.[Zn+2]
InChIInChI=1S/C9H17N2.C4H9.Zn/c1-11(2)10-9-7-5-3-4-6-8-9;1-4(2)3;/h7H,3-6,8H2,1-2H3;1-3H3;/q2*-1;+2
InChIKeyYZLQGJXAWYFFAA-UHFFFAOYSA-N
XLogP4.30
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ZINC;butane;cyclohexen-1-yl(dimethylamino)azanide
CID 10706565
ZINC;butane;cyclohexen-1-yl(dimethylamino)azanide
CID 15969602
ZINC;cyclohexen-1-yl(dimethylamino)azanide;2-methylpropane
CID 177408648
zinc;[(Z)-1-cyclohexylprop-1-enyl]-(dimethylamino)azanide;2-methylpropane
CID 177442682
zinc;[(1E)-cycloocten-1-yl]-(dimethylamino)azanide;2-methylpropane
CID 177509267

Frequently Asked Questions

What is the IUPAC name of zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane?
The IUPAC name of zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane (CID 177486830) is zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane.
What is the SMILES notation for zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane?
The canonical SMILES for zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane is CN(C)[N-]C1=CCCCCC1.C[C-](C)C.[Zn+2].
What is the InChIKey of zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane?
The InChIKey is YZLQGJXAWYFFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.C4H9.Zn/c1-11(2)10-9-7-5-3-4-6-8-9;1-4(2)3;/h7H,3-6,8H2,1-2H3;1-3H3;/q2*-1;+2.
What are the key properties of zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane?
zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane has a molecular weight of 275.75 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;cyclohepten-1-yl(dimethylamino)azanide;2-methylpropane is sourced from PubChem (CID 177486830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).