lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide

C10H22LiN3 — CID 101047341

IUPAClithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide
SMILESCC(C)/N=C(\[N-]C(C)C)NC(C)C.[Li+]
InChIInChI=1S/C10H22N3.Li/c1-7(2)11-10(12-8(3)4)13-9(5)6;/h7-9H,1-6H3,(H-,11,12,13);/q-1;+1
InChIKeyGCVRCFYFPSWZOA-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.47
Rot. Bonds3

About lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide

lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide (PubChem CID 101047341) has the molecular formula C10H22LiN3 and a molecular weight of 191.25 g/mol. Its IUPAC name is lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide.

Molecular Properties

Compound Namelithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide
PubChem CID101047341
Molecular FormulaC10H22LiN3
Molecular Weight191.25 g/mol
Exact Mass191.20
IUPAC Namelithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide
SMILESCC(C)/N=C(\[N-]C(C)C)NC(C)C.[Li+]
InChIInChI=1S/C10H22N3.Li/c1-7(2)11-10(12-8(3)4)13-9(5)6;/h7-9H,1-6H3,(H-,11,12,13);/q-1;+1
InChIKeyGCVRCFYFPSWZOA-UHFFFAOYSA-N
XLogP-0.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide?
The IUPAC name of lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide (CID 101047341) is lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide.
What is the SMILES notation for lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide?
The canonical SMILES for lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide is CC(C)/N=C(\[N-]C(C)C)NC(C)C.[Li+].
What is the InChIKey of lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide?
The InChIKey is GCVRCFYFPSWZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3.Li/c1-7(2)11-10(12-8(3)4)13-9(5)6;/h7-9H,1-6H3,(H-,11,12,13);/q-1;+1.
What are the key properties of lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide?
lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide has a molecular weight of 191.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide is sourced from PubChem (CID 101047341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).