lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine

C13H26LiN — CID 90302197

IUPAClithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine
SMILES[CH2-]/C(C)=C/CN(CCCC)CCCC.[Li+]
InChIInChI=1S/C13H26N.Li/c1-5-7-10-14(11-8-6-2)12-9-13(3)4;/h9H,3,5-8,10-12H2,1-2,4H3;/q-1;+1/b13-9-;
InChIKeyVECTXNXUXXAPTQ-CHHCPSLASA-N
MW203.30 g/mol
LogP0.67
Rot. Bonds8

About lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine

lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine (PubChem CID 90302197) has the molecular formula C13H26LiN and a molecular weight of 203.30 g/mol. Its IUPAC name is lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine.

Molecular Properties

Compound Namelithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine
PubChem CID90302197
Molecular FormulaC13H26LiN
Molecular Weight203.30 g/mol
Exact Mass203.22
IUPAC Namelithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine
SMILES[CH2-]/C(C)=C/CN(CCCC)CCCC.[Li+]
InChIInChI=1S/C13H26N.Li/c1-5-7-10-14(11-8-6-2)12-9-13(3)4;/h9H,3,5-8,10-12H2,1-2,4H3;/q-1;+1/b13-9-;
InChIKeyVECTXNXUXXAPTQ-CHHCPSLASA-N
XLogP0.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-[butyl(ethyl)amino]-2-methylbut-2-enoic acid
CID 77074839
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
(E)-N,N-dibutyl-4-chlorobut-2-en-1-amine
CID 64681695
lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride
CID 174719657
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
N-butyl-N-(3-methylbut-2-enylsilylmethyl)butan-1-amine
CID 173072690
lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine
CID 140648805
N,N-dibutylocta-2,7-dien-1-amine
CID 5043810
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine?
The IUPAC name of lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine (CID 90302197) is lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine.
What is the SMILES notation for lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine?
The canonical SMILES for lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine is [CH2-]/C(C)=C/CN(CCCC)CCCC.[Li+].
What is the InChIKey of lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine?
The InChIKey is VECTXNXUXXAPTQ-CHHCPSLASA-N. The full InChI is InChI=1S/C13H26N.Li/c1-5-7-10-14(11-8-6-2)12-9-13(3)4;/h9H,3,5-8,10-12H2,1-2,4H3;/q-1;+1/b13-9-;.
What are the key properties of lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine?
lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine has a molecular weight of 203.30 g/mol, XLogP of 0.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-N,N-dibutyl-3-methanidylbut-2-en-1-amine is sourced from PubChem (CID 90302197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).