(Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine

C9H17N — CID 129212087

IUPAC(Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)C(C)C
InChIInChI=1S/C9H17N/c1-5-9(8(3)4)7-10-6-2/h5,7-8H,6H2,1-4H3/b9-5+,10-7+
InChIKeyNUBFWKHKKLTPAO-FWMCCXIMSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds3

About (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine

(Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine (PubChem CID 129212087) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine
PubChem CID129212087
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)C(C)C
InChIInChI=1S/C9H17N/c1-5-9(8(3)4)7-10-6-2/h5,7-8H,6H2,1-4H3/b9-5+,10-7+
InChIKeyNUBFWKHKKLTPAO-FWMCCXIMSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-N-ethyl-2-propan-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine (CID 129212087) is (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine is C/C=C(\C=N\CC)C(C)C.
What is the InChIKey of (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine?
The InChIKey is NUBFWKHKKLTPAO-FWMCCXIMSA-N. The full InChI is InChI=1S/C9H17N/c1-5-9(8(3)4)7-10-6-2/h5,7-8H,6H2,1-4H3/b9-5+,10-7+.
What are the key properties of (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine?
(Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 129212087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).