[N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc

C7H16N3Zn- — CID 175721747

IUPAC[N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc
SMILES[H]/N=C(\[NH-])N(C(C)C)C(C)C.[Zn]
InChIInChI=1S/C7H16N3.Zn/c1-5(2)10(6(3)4)7(8)9;/h5-6H,1-4H3,(H2-,8,9);/q-1;
InChIKeyMUQNOCJJVGGABT-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.09
Rot. Bonds2

About [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc

[N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc (PubChem CID 175721747) has the molecular formula C7H16N3Zn- and a molecular weight of 207.62 g/mol. Its IUPAC name is [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc.

Molecular Properties

Compound Name[N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc
PubChem CID175721747
Molecular FormulaC7H16N3Zn-
Molecular Weight207.62 g/mol
Exact Mass206.06
IUPAC Name[N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc
SMILES[H]/N=C(\[NH-])N(C(C)C)C(C)C.[Zn]
InChIInChI=1S/C7H16N3.Zn/c1-5(2)10(6(3)4)7(8)9;/h5-6H,1-4H3,(H2-,8,9);/q-1;
InChIKeyMUQNOCJJVGGABT-UHFFFAOYSA-N
XLogP2.09
TPSA50.89 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc 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

2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid
CID 86583226
2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide
CID 67215168
4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride
CID 155895383
bis[di(propan-2-yl)amino]methylidenerhodium
CID 151616731
4-imino-N,N-dimethylpentan-2-amine
CID 163674101
methyl N-methyl-N-propan-2-ylcarbamimidate
CID 45087420
(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium
CID 175895057
3-methylbutan-2-imine
CID 20811318
4-imino-3,5-dimethylhexan-2-ol
CID 158629570
N-hydrazinyl-2-methyl-N-propan-2-ylpropanimidamide
CID 172628063
3-(diethylamino)butanimidamide
CID 60913341
N-propan-2-yl-N-propylcyclopropanecarboximidamide
CID 63175891

Frequently Asked Questions

What is the IUPAC name of [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc?
The IUPAC name of [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc (CID 175721747) is [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc.
What is the SMILES notation for [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc?
The canonical SMILES for [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc is [H]/N=C(\[NH-])N(C(C)C)C(C)C.[Zn].
What is the InChIKey of [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc?
The InChIKey is MUQNOCJJVGGABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3.Zn/c1-5(2)10(6(3)4)7(8)9;/h5-6H,1-4H3,(H2-,8,9);/q-1;.
What are the key properties of [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc?
[N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc has a molecular weight of 207.62 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc is sourced from PubChem (CID 175721747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).