N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane

C11H21N — CID 142410317

IUPACN-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane
SMILESC=C/C(=C\N=C)C(C)(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-6-8(7-10-5)9(2,3)4;1-2/h6-7H,1,5H2,2-4H3;1-2H3/b8-7+;
InChIKeyYEJFIEJEKQBFKI-USRGLUTNSA-N
MW167.30 g/mol
LogP3.83
Rot. Bonds2

About N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane

N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane (PubChem CID 142410317) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane.

Molecular Properties

Compound NameN-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane
PubChem CID142410317
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane
SMILESC=C/C(=C\N=C)C(C)(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-6-8(7-10-5)9(2,3)4;1-2/h6-7H,1,5H2,2-4H3;1-2H3/b8-7+;
InChIKeyYEJFIEJEKQBFKI-USRGLUTNSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane?
The IUPAC name of N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane (CID 142410317) is N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane.
What is the SMILES notation for N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane?
The canonical SMILES for N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane is C=C/C(=C\N=C)C(C)(C)C.CC.
What is the InChIKey of N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane?
The InChIKey is YEJFIEJEKQBFKI-USRGLUTNSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-6-8(7-10-5)9(2,3)4;1-2/h6-7H,1,5H2,2-4H3;1-2H3/b8-7+;.
What are the key properties of N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane?
N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane has a molecular weight of 167.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine;ethane is sourced from PubChem (CID 142410317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).