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

C12H24N2 — CID 131880639

IUPAC2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
SMILESCCC(=NN=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
InChIKeyOHECKRDBKRWSIU-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.92
Rot. Bonds5

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

2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine (PubChem CID 131880639) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
PubChem CID131880639
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
SMILESCCC(=NN=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
InChIKeyOHECKRDBKRWSIU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine?
The IUPAC name of 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine (CID 131880639) is 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine.
What is the SMILES notation for 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine?
The canonical SMILES for 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine is CCC(=NN=C(CC)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine?
The InChIKey is OHECKRDBKRWSIU-UHFFFAOYSA-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.
What are the key properties of 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine?
2-methyl-N-(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 2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine is sourced from PubChem (CID 131880639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).