lithium but-1-en-2-yl(dimethylamino)azanide

C6H13LiN2 — CID 15122473

IUPAClithium but-1-en-2-yl(dimethylamino)azanide
SMILESC=C(CC)[N-]N(C)C.[Li+]
InChIInChI=1S/C6H13N2.Li/c1-5-6(2)7-8(3)4;/h2,5H2,1,3-4H3;/q-1;+1
InChIKeyBFQRVLRJEDMUGK-UHFFFAOYSA-N
MW120.12 g/mol
LogP-1.24
Rot. Bonds3

About lithium but-1-en-2-yl(dimethylamino)azanide

lithium but-1-en-2-yl(dimethylamino)azanide (PubChem CID 15122473) has the molecular formula C6H13LiN2 and a molecular weight of 120.12 g/mol. Its IUPAC name is lithium but-1-en-2-yl(dimethylamino)azanide.

Molecular Properties

Compound Namelithium but-1-en-2-yl(dimethylamino)azanide
PubChem CID15122473
Molecular FormulaC6H13LiN2
Molecular Weight120.12 g/mol
Exact Mass120.12
IUPAC Namelithium but-1-en-2-yl(dimethylamino)azanide
SMILESC=C(CC)[N-]N(C)C.[Li+]
InChIInChI=1S/C6H13N2.Li/c1-5-6(2)7-8(3)4;/h2,5H2,1,3-4H3;/q-1;+1
InChIKeyBFQRVLRJEDMUGK-UHFFFAOYSA-N
XLogP-1.24
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium but-1-en-2-yl(dimethylamino)azanide?
The IUPAC name of lithium but-1-en-2-yl(dimethylamino)azanide (CID 15122473) is lithium but-1-en-2-yl(dimethylamino)azanide.
What is the SMILES notation for lithium but-1-en-2-yl(dimethylamino)azanide?
The canonical SMILES for lithium but-1-en-2-yl(dimethylamino)azanide is C=C(CC)[N-]N(C)C.[Li+].
What is the InChIKey of lithium but-1-en-2-yl(dimethylamino)azanide?
The InChIKey is BFQRVLRJEDMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2.Li/c1-5-6(2)7-8(3)4;/h2,5H2,1,3-4H3;/q-1;+1.
What are the key properties of lithium but-1-en-2-yl(dimethylamino)azanide?
lithium but-1-en-2-yl(dimethylamino)azanide has a molecular weight of 120.12 g/mol, XLogP of -1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium but-1-en-2-yl(dimethylamino)azanide is sourced from PubChem (CID 15122473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).