ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine

C13H28N2 — CID 167520834

IUPACethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine
SMILESCC.CCC(CC)C/N=C(C)/C(C)=C\N
InChIInChI=1S/C11H22N2.C2H6/c1-5-11(6-2)8-13-10(4)9(3)7-12;1-2/h7,11H,5-6,8,12H2,1-4H3;1-2H3/b9-7-,13-10+;
InChIKeyGWPSIELDLPBVCX-GKKDQFDVSA-N
MW212.38 g/mol
LogP3.77
Rot. Bonds5

About ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine

ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine (PubChem CID 167520834) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine
PubChem CID167520834
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine
SMILESCC.CCC(CC)C/N=C(C)/C(C)=C\N
InChIInChI=1S/C11H22N2.C2H6/c1-5-11(6-2)8-13-10(4)9(3)7-12;1-2/h7,11H,5-6,8,12H2,1-4H3;1-2H3/b9-7-,13-10+;
InChIKeyGWPSIELDLPBVCX-GKKDQFDVSA-N
XLogP3.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine (CID 167520834) is ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine is CC.CCC(CC)C/N=C(C)/C(C)=C\N.
What is the InChIKey of ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
The InChIKey is GWPSIELDLPBVCX-GKKDQFDVSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-5-11(6-2)8-13-10(4)9(3)7-12;1-2/h7,11H,5-6,8,12H2,1-4H3;1-2H3/b9-7-,13-10+;.
What are the key properties of ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine has a molecular weight of 212.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine is sourced from PubChem (CID 167520834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).