lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine

C15H25LiN+ — CID 162333767

IUPAClithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine
SMILESCCCCCCc1ccc(CN(C)C)cc1.[Li+]
InChIInChI=1S/C15H25N.Li/c1-4-5-6-7-8-14-9-11-15(12-10-14)13-16(2)3;/h9-12H,4-8,13H2,1-3H3;/q;+1
InChIKeyIORMOJIYPLLXOQ-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.88
Rot. Bonds7

About lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine

lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine (PubChem CID 162333767) has the molecular formula C15H25LiN+ and a molecular weight of 226.31 g/mol. Its IUPAC name is lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Namelithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine
PubChem CID162333767
Molecular FormulaC15H25LiN+
Molecular Weight226.31 g/mol
Exact Mass226.21
IUPAC Namelithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine
SMILESCCCCCCc1ccc(CN(C)C)cc1.[Li+]
InChIInChI=1S/C15H25N.Li/c1-4-5-6-7-8-14-9-11-15(12-10-14)13-16(2)3;/h9-12H,4-8,13H2,1-3H3;/q;+1
InChIKeyIORMOJIYPLLXOQ-UHFFFAOYSA-N
XLogP0.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-nonylbenzene
CID 59545302
4-heptyl-N,N-dimethylaniline
CID 20777180
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-[(dimethylamino)methyl]-2-octylphenol
CID 70503511
1-methyl-4-octylbenzene
CID 11052746
bis(4-hexylphenyl)tin
CID 177496129
CID 59957588
CID 59957588
1-iodo-4-octadecylbenzene
CID 141122271
1-pentyl-4-(4-pentylphenyl)selanylbenzene
CID 175028918
(4-undecylphenyl)methanethiol
CID 152658546

Frequently Asked Questions

What is the IUPAC name of lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine (CID 162333767) is lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine is CCCCCCc1ccc(CN(C)C)cc1.[Li+].
What is the InChIKey of lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine?
The InChIKey is IORMOJIYPLLXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.Li/c1-4-5-6-7-8-14-9-11-15(12-10-14)13-16(2)3;/h9-12H,4-8,13H2,1-3H3;/q;+1.
What are the key properties of lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine?
lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine has a molecular weight of 226.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 162333767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).