lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine

C19H38LiN — CID 140648805

IUPAClithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine
SMILES[CH2-]C=C(C)CN(CCCCCCC)CCCCCCC.[Li+]
InChIInChI=1S/C19H38N.Li/c1-5-8-10-12-14-16-20(18-19(4)7-3)17-15-13-11-9-6-2;/h7H,3,5-6,8-18H2,1-2,4H3;/q-1;+1
InChIKeyYPGHIAXKEGMWLU-UHFFFAOYSA-N
MW287.46 g/mol
LogP3.01
Rot. Bonds14

About lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine

lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine (PubChem CID 140648805) has the molecular formula C19H38LiN and a molecular weight of 287.46 g/mol. Its IUPAC name is lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine.

Molecular Properties

Compound Namelithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine
PubChem CID140648805
Molecular FormulaC19H38LiN
Molecular Weight287.46 g/mol
Exact Mass287.32
IUPAC Namelithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine
SMILES[CH2-]C=C(C)CN(CCCCCCC)CCCCCCC.[Li+]
InChIInChI=1S/C19H38N.Li/c1-5-8-10-12-14-16-20(18-19(4)7-3)17-15-13-11-9-6-2;/h7H,3,5-6,8-18H2,1-2,4H3;/q-1;+1
InChIKeyYPGHIAXKEGMWLU-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.46
LogP ≤ 53.01
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-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride
CID 155652944
N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine
CID 21159426
lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine
CID 90302365
[hexyl(hydroxymethyl)amino]methanol
CID 18004283
[dodecyl(hydroxymethyl)amino]methanol
CID 19019052
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

Frequently Asked Questions

What is the IUPAC name of lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine?
The IUPAC name of lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine (CID 140648805) is lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine.
What is the SMILES notation for lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine?
The canonical SMILES for lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine is [CH2-]C=C(C)CN(CCCCCCC)CCCCCCC.[Li+].
What is the InChIKey of lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine?
The InChIKey is YPGHIAXKEGMWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N.Li/c1-5-8-10-12-14-16-20(18-19(4)7-3)17-15-13-11-9-6-2;/h7H,3,5-6,8-18H2,1-2,4H3;/q-1;+1.
What are the key properties of lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine?
lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine has a molecular weight of 287.46 g/mol, XLogP of 3.01, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine is sourced from PubChem (CID 140648805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).