(Z)-2-tert-butyl-N-propylbut-2-en-1-imine

C11H21N — CID 130320678

IUPAC(Z)-2-tert-butyl-N-propylbut-2-en-1-imine
SMILESC/C=C(\C=N\CCC)C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-8-12-9-10(7-2)11(3,4)5/h7,9H,6,8H2,1-5H3/b10-7+,12-9+
InChIKeyPNWXZKUPYHEKJW-NWABJRNTSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds3

About (Z)-2-tert-butyl-N-propylbut-2-en-1-imine

(Z)-2-tert-butyl-N-propylbut-2-en-1-imine (PubChem CID 130320678) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z)-2-tert-butyl-N-propylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-tert-butyl-N-propylbut-2-en-1-imine
PubChem CID130320678
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z)-2-tert-butyl-N-propylbut-2-en-1-imine
SMILESC/C=C(\C=N\CCC)C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-8-12-9-10(7-2)11(3,4)5/h7,9H,6,8H2,1-5H3/b10-7+,12-9+
InChIKeyPNWXZKUPYHEKJW-NWABJRNTSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
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)-2-tert-butyl-N-propylbut-2-en-1-imine?
The IUPAC name of (Z)-2-tert-butyl-N-propylbut-2-en-1-imine (CID 130320678) is (Z)-2-tert-butyl-N-propylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-tert-butyl-N-propylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-tert-butyl-N-propylbut-2-en-1-imine is C/C=C(\C=N\CCC)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-N-propylbut-2-en-1-imine?
The InChIKey is PNWXZKUPYHEKJW-NWABJRNTSA-N. The full InChI is InChI=1S/C11H21N/c1-6-8-12-9-10(7-2)11(3,4)5/h7,9H,6,8H2,1-5H3/b10-7+,12-9+.
What are the key properties of (Z)-2-tert-butyl-N-propylbut-2-en-1-imine?
(Z)-2-tert-butyl-N-propylbut-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-N-propylbut-2-en-1-imine is sourced from PubChem (CID 130320678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).