lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane

C14H32LiN — CID 174508922

IUPAClithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane
SMILESCCCCCC.C[CH-]N(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C8H18N.C6H14.Li/c1-6-9(7(2)3)8(4)5;1-3-5-6-4-2;/h6-8H,1-5H3;3-6H2,1-2H3;/q-1;;+1
InChIKeyZAVNEKWNXBLTFU-UHFFFAOYSA-N
MW221.36 g/mol
LogP1.88
Rot. Bonds6

About lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane

lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane (PubChem CID 174508922) has the molecular formula C14H32LiN and a molecular weight of 221.36 g/mol. Its IUPAC name is lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane.

Molecular Properties

Compound Namelithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane
PubChem CID174508922
Molecular FormulaC14H32LiN
Molecular Weight221.36 g/mol
Exact Mass221.27
IUPAC Namelithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane
SMILESCCCCCC.C[CH-]N(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C8H18N.C6H14.Li/c1-6-9(7(2)3)8(4)5;1-3-5-6-4-2;/h6-8H,1-5H3;3-6H2,1-2H3;/q-1;;+1
InChIKeyZAVNEKWNXBLTFU-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-propan-2-ylpropan-2-amine;titanium;hydrochloride
CID 174277868
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
ethane;hexane;2-methylpropane
CID 143834457
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547
2-iodooctadecane
CID 138596673
tetralithium;hexane;hydride
CID 174784043
N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
CID 163400505
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
ethane;heptane;2-methylpropane
CID 167499531

Frequently Asked Questions

What is the IUPAC name of lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane?
The IUPAC name of lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane (CID 174508922) is lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane.
What is the SMILES notation for lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane?
The canonical SMILES for lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane is CCCCCC.C[CH-]N(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane?
The InChIKey is ZAVNEKWNXBLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.C6H14.Li/c1-6-9(7(2)3)8(4)5;1-3-5-6-4-2;/h6-8H,1-5H3;3-6H2,1-2H3;/q-1;;+1.
What are the key properties of lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane?
lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane has a molecular weight of 221.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-ethyl-N-propan-2-ylpropan-2-amine;hexane is sourced from PubChem (CID 174508922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).