N-methylcyclohexa-1,3-dien-1-amine;zinc

C7H10NZn- — CID 163558144

IUPACN-methylcyclohexa-1,3-dien-1-amine;zinc
SMILESCNC1=CC=[C-]CC1.[Zn]
InChIInChI=1S/C7H10N.Zn/c1-8-7-5-3-2-4-6-7;/h3,5,8H,4,6H2,1H3;/q-1;
InChIKeyZFKSVIJKBHEYQZ-UHFFFAOYSA-N
MW173.55 g/mol
LogP1.24
Rot. Bonds1

About N-methylcyclohexa-1,3-dien-1-amine;zinc

N-methylcyclohexa-1,3-dien-1-amine;zinc (PubChem CID 163558144) has the molecular formula C7H10NZn- and a molecular weight of 173.55 g/mol. Its IUPAC name is N-methylcyclohexa-1,3-dien-1-amine;zinc.

Molecular Properties

Compound NameN-methylcyclohexa-1,3-dien-1-amine;zinc
PubChem CID163558144
Molecular FormulaC7H10NZn-
Molecular Weight173.55 g/mol
Exact Mass172.01
IUPAC NameN-methylcyclohexa-1,3-dien-1-amine;zinc
SMILESCNC1=CC=[C-]CC1.[Zn]
InChIInChI=1S/C7H10N.Zn/c1-8-7-5-3-2-4-6-7;/h3,5,8H,4,6H2,1H3;/q-1;
InChIKeyZFKSVIJKBHEYQZ-UHFFFAOYSA-N
XLogP1.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.55
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexa-1,3-dien-1-amine;zinc?
The IUPAC name of N-methylcyclohexa-1,3-dien-1-amine;zinc (CID 163558144) is N-methylcyclohexa-1,3-dien-1-amine;zinc.
What is the SMILES notation for N-methylcyclohexa-1,3-dien-1-amine;zinc?
The canonical SMILES for N-methylcyclohexa-1,3-dien-1-amine;zinc is CNC1=CC=[C-]CC1.[Zn].
What is the InChIKey of N-methylcyclohexa-1,3-dien-1-amine;zinc?
The InChIKey is ZFKSVIJKBHEYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.Zn/c1-8-7-5-3-2-4-6-7;/h3,5,8H,4,6H2,1H3;/q-1;.
What are the key properties of N-methylcyclohexa-1,3-dien-1-amine;zinc?
N-methylcyclohexa-1,3-dien-1-amine;zinc has a molecular weight of 173.55 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexa-1,3-dien-1-amine;zinc is sourced from PubChem (CID 163558144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).