lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride

C20H42LiN — CID 174719657

IUPAClithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride
SMILESC/C=C/CN(CCCCCCCC)CCCCCCCC.[H-].[Li+]
InChIInChI=1S/C20H41N.Li.H/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2;;/h6,9H,4-5,7-8,10-20H2,1-3H3;;/q;+1;-1/b9-6+;;
InChIKeyKPGQUCRXZVOTIF-SWSRPJROSA-N
MW303.50 g/mol
LogP3.70
Rot. Bonds16

About lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride

lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride (PubChem CID 174719657) has the molecular formula C20H42LiN and a molecular weight of 303.50 g/mol. Its IUPAC name is lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride.

Molecular Properties

Compound Namelithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride
PubChem CID174719657
Molecular FormulaC20H42LiN
Molecular Weight303.50 g/mol
Exact Mass303.35
IUPAC Namelithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride
SMILESC/C=C/CN(CCCCCCCC)CCCCCCCC.[H-].[Li+]
InChIInChI=1S/C20H41N.Li.H/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2;;/h6,9H,4-5,7-8,10-20H2,1-3H3;;/q;+1;-1/b9-6+;;
InChIKeyKPGQUCRXZVOTIF-SWSRPJROSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-enyl-N-dodecyldodecan-1-amine;hydrobromide
CID 173009640
2-[but-2-enyl(octadec-9-enyl)amino]ethanesulfonic acid
CID 173463847
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202

Frequently Asked Questions

What is the IUPAC name of lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride?
The IUPAC name of lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride (CID 174719657) is lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride.
What is the SMILES notation for lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride?
The canonical SMILES for lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride is C/C=C/CN(CCCCCCCC)CCCCCCCC.[H-].[Li+].
What is the InChIKey of lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride?
The InChIKey is KPGQUCRXZVOTIF-SWSRPJROSA-N. The full InChI is InChI=1S/C20H41N.Li.H/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2;;/h6,9H,4-5,7-8,10-20H2,1-3H3;;/q;+1;-1/b9-6+;;.
What are the key properties of lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride?
lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride has a molecular weight of 303.50 g/mol, XLogP of 3.70, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride is sourced from PubChem (CID 174719657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).