zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide

C14H22N2Zn — CID 11543752

IUPACzinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C.[CH3-].[Zn+2]
InChIInChI=1S/C13H19N2.CH3.Zn/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;/h5-11H,1-4H3;1H3;/q2*-1;+2
InChIKeyVKMONPMPLRUQQX-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.86
Rot. Bonds3

About zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide

zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide (PubChem CID 11543752) has the molecular formula C14H22N2Zn and a molecular weight of 283.73 g/mol. Its IUPAC name is zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide.

Molecular Properties

Compound Namezinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
PubChem CID11543752
Molecular FormulaC14H22N2Zn
Molecular Weight283.73 g/mol
Exact Mass282.11
IUPAC Namezinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C.[CH3-].[Zn+2]
InChIInChI=1S/C13H19N2.CH3.Zn/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;/h5-11H,1-4H3;1H3;/q2*-1;+2
InChIKeyVKMONPMPLRUQQX-UHFFFAOYSA-N
XLogP3.86
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.86
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'}

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Related Compounds

(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
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CID 135046310
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
Ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium
CID 123659364
ethane;(2E,4Z)-N-[(Z)-2-iminopent-3-enyl]-N-methylhexa-2,4-dien-2-amine
CID 141950540
7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine
CID 163684541
(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine
CID 166959142
(Z)-2-N-[(3Z)-penta-1,3-dien-2-yl]-5-N-propan-2-ylidenepent-3-ene-2,5-diimine
CID 169850594
N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine
CID 5241766
7-Propan-2-yliminocyclohepta-1,3,5-trien-1-amine
CID 9964184
Dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)
CID 10994984
N-ethyl-7-ethyliminocyclohepta-1,3,5-trien-1-amine
CID 14940693

Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The IUPAC name of zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide (CID 11543752) is zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide.
What is the SMILES notation for zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The canonical SMILES for zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide is CC(C)/N=c1\cccccc1[N-]C(C)C.[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The InChIKey is VKMONPMPLRUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2.CH3.Zn/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;/h5-11H,1-4H3;1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide has a molecular weight of 283.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide is sourced from PubChem (CID 11543752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).