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

C12H24N2 — CID 134897201

IUPAC(E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine
SMILESCC/C(=N/N=C(\CC)C(C)C)C(C)C
InChIInChI=1S/C12H24N2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-10H,7-8H2,1-6H3/b13-11-,14-12+
InChIKeyOHECKRDBKRWSIU-HEEUSZRZSA-N
MW196.34 g/mol
LogP3.92
Rot. Bonds5

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

(E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine (PubChem CID 134897201) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine
PubChem CID134897201
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine
SMILESCC/C(=N/N=C(\CC)C(C)C)C(C)C
InChIInChI=1S/C12H24N2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-10H,7-8H2,1-6H3/b13-11-,14-12+
InChIKeyOHECKRDBKRWSIU-HEEUSZRZSA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.92
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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Related Compounds

3-Pentanone, 2-(1-ethylpropylidene)hydrazone
CID 200337
2,4-Dimethyl-3-pentanone 2-(2-methyl-1-(1-methylethyl)propylidene)hydrazone
CID 12704925
(2,4-Dimethylpentan-3-ylidene)hydrazine
CID 12577949
Diazo(diisopropyl)methane
CID 58059718
(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
CID 59873286
Dimethylketazin
CID 129629877
Methyl ethyl ketazine
CID 129652231
4-Methylpentan-2-ylidenehydrazine
CID 85862148
(E)-3-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]butan-2-imine
CID 12373976
(E)-4-methyl-N-[(Z)-4-methylpentan-2-ylideneamino]pentan-2-imine
CID 13539589
(E)-4-methyl-N-[(E)-4-methylpentan-2-ylideneamino]pentan-2-imine
CID 13539590
N-isothiocyanato-2,4-dimethylpentan-3-imine
CID 134862053

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine?
The IUPAC name of (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine (CID 134897201) is (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine.
What is the SMILES notation for (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine?
The canonical SMILES for (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine is CC/C(=N/N=C(\CC)C(C)C)C(C)C.
What is the InChIKey of (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine?
The InChIKey is OHECKRDBKRWSIU-HEEUSZRZSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-10H,7-8H2,1-6H3/b13-11-,14-12+.
What are the key properties of (E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine?
(E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine has a molecular weight of 196.34 g/mol, XLogP of 3.92, 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-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine is sourced from PubChem (CID 134897201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).