(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine

C10H20N2 — CID 90275185

IUPAC(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
SMILESCCC/C(C)=N/N=C(\C)CCC
InChIInChI=1S/C10H20N2/c1-5-7-9(3)11-12-10(4)8-6-2/h5-8H2,1-4H3/b11-9+,12-10+
InChIKeyDHXJZKUTMSPOBJ-WGDLNXRISA-N
MW168.28 g/mol
LogP3.42
Rot. Bonds5

About (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine

(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine (PubChem CID 90275185) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
PubChem CID90275185
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
SMILESCCC/C(C)=N/N=C(\C)CCC
InChIInChI=1S/C10H20N2/c1-5-7-9(3)11-12-10(4)8-6-2/h5-8H2,1-4H3/b11-9+,12-10+
InChIKeyDHXJZKUTMSPOBJ-WGDLNXRISA-N
XLogP3.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.42
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)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
The IUPAC name of (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine (CID 90275185) is (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine.
What is the SMILES notation for (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
The canonical SMILES for (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine is CCC/C(C)=N/N=C(\C)CCC.
What is the InChIKey of (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
The InChIKey is DHXJZKUTMSPOBJ-WGDLNXRISA-N. The full InChI is InChI=1S/C10H20N2/c1-5-7-9(3)11-12-10(4)8-6-2/h5-8H2,1-4H3/b11-9+,12-10+.
What are the key properties of (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine has a molecular weight of 168.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine is sourced from PubChem (CID 90275185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).