lithium N-hexyl-1-phenylbutan-1-imine

C16H24LiN — CID 87755277

IUPAClithium N-hexyl-1-phenylbutan-1-imine
SMILES[CH2-]CC/C(=N\CCCCCC)c1ccccc1.[Li+]
InChIInChI=1S/C16H24N.Li/c1-3-5-6-10-14-17-16(11-4-2)15-12-8-7-9-13-15;/h7-9,12-13H,2-6,10-11,14H2,1H3;/q-1;+1/b17-16+;
InChIKeyJKAPJZSQMORCQN-CMBBICFISA-N
MW237.32 g/mol
LogP1.67
Rot. Bonds8

About lithium N-hexyl-1-phenylbutan-1-imine

lithium N-hexyl-1-phenylbutan-1-imine (PubChem CID 87755277) has the molecular formula C16H24LiN and a molecular weight of 237.32 g/mol. Its IUPAC name is lithium N-hexyl-1-phenylbutan-1-imine.

Molecular Properties

Compound Namelithium N-hexyl-1-phenylbutan-1-imine
PubChem CID87755277
Molecular FormulaC16H24LiN
Molecular Weight237.32 g/mol
Exact Mass237.21
IUPAC Namelithium N-hexyl-1-phenylbutan-1-imine
SMILES[CH2-]CC/C(=N\CCCCCC)c1ccccc1.[Li+]
InChIInChI=1S/C16H24N.Li/c1-3-5-6-10-14-17-16(11-4-2)15-12-8-7-9-13-15;/h7-9,12-13H,2-6,10-11,14H2,1H3;/q-1;+1/b17-16+;
InChIKeyJKAPJZSQMORCQN-CMBBICFISA-N
XLogP1.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.67
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4-isocyano-1-phenylbutan-1-imine
CID 135072244
N-hexadecyl-1-phenylethanimine
CID 102417154
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
N-hexyl-2-phenylprop-1-en-1-imine
CID 87132233
N-benzyl-1-phenylpentan-1-imine
CID 20688068
N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
CID 3787959
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide
CID 136709035

Frequently Asked Questions

What is the IUPAC name of lithium N-hexyl-1-phenylbutan-1-imine?
The IUPAC name of lithium N-hexyl-1-phenylbutan-1-imine (CID 87755277) is lithium N-hexyl-1-phenylbutan-1-imine.
What is the SMILES notation for lithium N-hexyl-1-phenylbutan-1-imine?
The canonical SMILES for lithium N-hexyl-1-phenylbutan-1-imine is [CH2-]CC/C(=N\CCCCCC)c1ccccc1.[Li+].
What is the InChIKey of lithium N-hexyl-1-phenylbutan-1-imine?
The InChIKey is JKAPJZSQMORCQN-CMBBICFISA-N. The full InChI is InChI=1S/C16H24N.Li/c1-3-5-6-10-14-17-16(11-4-2)15-12-8-7-9-13-15;/h7-9,12-13H,2-6,10-11,14H2,1H3;/q-1;+1/b17-16+;.
What are the key properties of lithium N-hexyl-1-phenylbutan-1-imine?
lithium N-hexyl-1-phenylbutan-1-imine has a molecular weight of 237.32 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-hexyl-1-phenylbutan-1-imine is sourced from PubChem (CID 87755277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).