(Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile

C10H15N3 — CID 12558803

IUPAC(Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile
SMILESCC/C(C#N)=C(\C#N)NC(C)(C)C
InChIInChI=1S/C10H15N3/c1-5-8(6-11)9(7-12)13-10(2,3)4/h13H,5H2,1-4H3/b9-8-
InChIKeyFXUMPQOLRIUUDX-HJWRWDBZSA-N
MW177.25 g/mol
LogP2.09
Rot. Bonds2

About (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile

(Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile (PubChem CID 12558803) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile
PubChem CID12558803
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile
SMILESCC/C(C#N)=C(\C#N)NC(C)(C)C
InChIInChI=1S/C10H15N3/c1-5-8(6-11)9(7-12)13-10(2,3)4/h13H,5H2,1-4H3/b9-8-
InChIKeyFXUMPQOLRIUUDX-HJWRWDBZSA-N
XLogP2.09
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile?
The IUPAC name of (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile (CID 12558803) is (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile.
What is the SMILES notation for (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile?
The canonical SMILES for (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile is CC/C(C#N)=C(\C#N)NC(C)(C)C.
What is the InChIKey of (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile?
The InChIKey is FXUMPQOLRIUUDX-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-8(6-11)9(7-12)13-10(2,3)4/h13H,5H2,1-4H3/b9-8-.
What are the key properties of (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile?
(Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile has a molecular weight of 177.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(tert-butylamino)-3-ethylbut-2-enedinitrile is sourced from PubChem (CID 12558803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).