2-hexan-2-ylidenepropane-1,3-diimine

C9H16N2 — CID 123776850

IUPAC2-hexan-2-ylidenepropane-1,3-diimine
SMILES[H]/N=C/C(/C=N/[H])=C(C)CCCC
InChIInChI=1S/C9H16N2/c1-3-4-5-8(2)9(6-10)7-11/h6-7,10-11H,3-5H2,1-2H3/b10-6+,11-7+
InChIKeyMJJHNRUZFFZHPZ-JMQWPVDRSA-N
MW152.24 g/mol
LogP2.79
Rot. Bonds5

About 2-hexan-2-ylidenepropane-1,3-diimine

2-hexan-2-ylidenepropane-1,3-diimine (PubChem CID 123776850) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-hexan-2-ylidenepropane-1,3-diimine.

Molecular Properties

Compound Name2-hexan-2-ylidenepropane-1,3-diimine
PubChem CID123776850
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-hexan-2-ylidenepropane-1,3-diimine
SMILES[H]/N=C/C(/C=N/[H])=C(C)CCCC
InChIInChI=1S/C9H16N2/c1-3-4-5-8(2)9(6-10)7-11/h6-7,10-11H,3-5H2,1-2H3/b10-6+,11-7+
InChIKeyMJJHNRUZFFZHPZ-JMQWPVDRSA-N
XLogP2.79
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-ylidenepropane-1,3-diimine?
The IUPAC name of 2-hexan-2-ylidenepropane-1,3-diimine (CID 123776850) is 2-hexan-2-ylidenepropane-1,3-diimine.
What is the SMILES notation for 2-hexan-2-ylidenepropane-1,3-diimine?
The canonical SMILES for 2-hexan-2-ylidenepropane-1,3-diimine is [H]/N=C/C(/C=N/[H])=C(C)CCCC.
What is the InChIKey of 2-hexan-2-ylidenepropane-1,3-diimine?
The InChIKey is MJJHNRUZFFZHPZ-JMQWPVDRSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-8(2)9(6-10)7-11/h6-7,10-11H,3-5H2,1-2H3/b10-6+,11-7+.
What are the key properties of 2-hexan-2-ylidenepropane-1,3-diimine?
2-hexan-2-ylidenepropane-1,3-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-ylidenepropane-1,3-diimine is sourced from PubChem (CID 123776850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).