(E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine

C11H22N2 — CID 121217233

IUPAC(E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine
SMILESCCC(CC)=N/N=C(\CC)C(C)C
InChIInChI=1S/C11H22N2/c1-6-10(7-2)12-13-11(8-3)9(4)5/h9H,6-8H2,1-5H3/b13-11+
InChIKeyAMEJLAOWHSRGMH-ACCUITESSA-N
MW182.31 g/mol
LogP3.67
Rot. Bonds5

About (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine

(E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine (PubChem CID 121217233) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine
PubChem CID121217233
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine
SMILESCCC(CC)=N/N=C(\CC)C(C)C
InChIInChI=1S/C11H22N2/c1-6-10(7-2)12-13-11(8-3)9(4)5/h9H,6-8H2,1-5H3/b13-11+
InChIKeyAMEJLAOWHSRGMH-ACCUITESSA-N
XLogP3.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine?
The IUPAC name of (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine (CID 121217233) is (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine.
What is the SMILES notation for (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine?
The canonical SMILES for (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine is CCC(CC)=N/N=C(\CC)C(C)C.
What is the InChIKey of (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine?
The InChIKey is AMEJLAOWHSRGMH-ACCUITESSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-10(7-2)12-13-11(8-3)9(4)5/h9H,6-8H2,1-5H3/b13-11+.
What are the key properties of (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine?
(E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine has a molecular weight of 182.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(pentan-3-ylideneamino)pentan-3-imine is sourced from PubChem (CID 121217233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).