(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine

C10H20N2 — CID 170442301

IUPAC(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
SMILESCCC/C(C)=N\N=C(/C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-9(4)11-12-10(5)8(2)3/h8H,6-7H2,1-5H3/b11-9-,12-10+
InChIKeyXOTKHUYQDCSORV-DSOJMZEYSA-N
MW168.28 g/mol
LogP3.28
Rot. Bonds4

About (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine

(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine (PubChem CID 170442301) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
PubChem CID170442301
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
SMILESCCC/C(C)=N\N=C(/C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-9(4)11-12-10(5)8(2)3/h8H,6-7H2,1-5H3/b11-9-,12-10+
InChIKeyXOTKHUYQDCSORV-DSOJMZEYSA-N
XLogP3.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.28
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 (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine?
The IUPAC name of (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine (CID 170442301) is (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine.
What is the SMILES notation for (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine?
The canonical SMILES for (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine is CCC/C(C)=N\N=C(/C)C(C)C.
What is the InChIKey of (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine?
The InChIKey is XOTKHUYQDCSORV-DSOJMZEYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-9(4)11-12-10(5)8(2)3/h8H,6-7H2,1-5H3/b11-9-,12-10+.
What are the key properties of (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine?
(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine has a molecular weight of 168.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine is sourced from PubChem (CID 170442301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).