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

C11H22N2 — CID 167520835

IUPAC(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine
SMILESCCC(CC)C/N=C(C)/C(C)=C\N
InChIInChI=1S/C11H22N2/c1-5-11(6-2)8-13-10(4)9(3)7-12/h7,11H,5-6,8,12H2,1-4H3/b9-7-,13-10+
InChIKeyUDYNSZLMQRABCG-FPXYGIGQSA-N
MW182.31 g/mol
LogP2.75
Rot. Bonds5

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

(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine (PubChem CID 167520835) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine
PubChem CID167520835
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine
SMILESCCC(CC)C/N=C(C)/C(C)=C\N
InChIInChI=1S/C11H22N2/c1-5-11(6-2)8-13-10(4)9(3)7-12/h7,11H,5-6,8,12H2,1-4H3/b9-7-,13-10+
InChIKeyUDYNSZLMQRABCG-FPXYGIGQSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.75
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 (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
The IUPAC name of (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine (CID 167520835) is (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine is CCC(CC)C/N=C(C)/C(C)=C\N.
What is the InChIKey of (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
The InChIKey is UDYNSZLMQRABCG-FPXYGIGQSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-11(6-2)8-13-10(4)9(3)7-12/h7,11H,5-6,8,12H2,1-4H3/b9-7-,13-10+.
What are the key properties of (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine?
(Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethylbutylimino)-2-methylbut-1-en-1-amine is sourced from PubChem (CID 167520835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).