lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide

C9H20LiN — CID 139991311

IUPAClithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide
SMILESCCC([NH-])(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C9H20N.Li/c1-6-9(10,7(2)3)8(4)5;/h7-8,10H,6H2,1-5H3;/q-1;+1
InChIKeyWCNAVPHHGREMQY-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.50
Rot. Bonds3

About lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide

lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide (PubChem CID 139991311) has the molecular formula C9H20LiN and a molecular weight of 149.21 g/mol. Its IUPAC name is lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide.

Molecular Properties

Compound Namelithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide
PubChem CID139991311
Molecular FormulaC9H20LiN
Molecular Weight149.21 g/mol
Exact Mass149.18
IUPAC Namelithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide
SMILESCCC([NH-])(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C9H20N.Li/c1-6-9(10,7(2)3)8(4)5;/h7-8,10H,6H2,1-5H3;/q-1;+1
InChIKeyWCNAVPHHGREMQY-UHFFFAOYSA-N
XLogP0.50
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-diethyl-2-methylpentane;ethane
CID 163394660
2-methylpentane-3,3-diol
CID 87103548
3-bromo-3-ethyl-2-methylpentane;λ2-stannane
CID 173457060
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
3-bromo-2,3-dimethylpentane
CID 54167618
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane
CID 139910313
3-chloro-3-ethyl-2-methylheptane
CID 151352184
3-(chloromethyl)-3-ethyl-5-methylheptane
CID 66034267
2,2-dimethylbutane;propane;2,3,3-trimethylpentane
CID 91438439
3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
CID 57491485

Frequently Asked Questions

What is the IUPAC name of lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide?
The IUPAC name of lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide (CID 139991311) is lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide.
What is the SMILES notation for lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide?
The canonical SMILES for lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide is CCC([NH-])(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide?
The InChIKey is WCNAVPHHGREMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.Li/c1-6-9(10,7(2)3)8(4)5;/h7-8,10H,6H2,1-5H3;/q-1;+1.
What are the key properties of lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide?
lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide has a molecular weight of 149.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide is sourced from PubChem (CID 139991311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).