4-ethylheptane-2,6-diimine

C9H18N2 — CID 57061676

IUPAC4-ethylheptane-2,6-diimine
SMILES[H]/N=C(\C)CC(CC)C/C(C)=N/[H]
InChIInChI=1S/C9H18N2/c1-4-9(5-7(2)10)6-8(3)11/h9-11H,4-6H2,1-3H3/b10-7+,11-8+
InChIKeyBNDPLUITECIHCP-AMMQDNIMSA-N
MW154.26 g/mol
LogP2.87
Rot. Bonds5

About 4-ethylheptane-2,6-diimine

4-ethylheptane-2,6-diimine (PubChem CID 57061676) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-ethylheptane-2,6-diimine.

Molecular Properties

Compound Name4-ethylheptane-2,6-diimine
PubChem CID57061676
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-ethylheptane-2,6-diimine
SMILES[H]/N=C(\C)CC(CC)C/C(C)=N/[H]
InChIInChI=1S/C9H18N2/c1-4-9(5-7(2)10)6-8(3)11/h9-11H,4-6H2,1-3H3/b10-7+,11-8+
InChIKeyBNDPLUITECIHCP-AMMQDNIMSA-N
XLogP2.87
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetone, 1-(6-methylhept-2-yl)hydrazone
CID 9570869
N-cyclohexylpropylideneimine
CID 278552
4-Fluoro-5-methylheptan-2-imine
CID 172242737
2,6-Dimethylheptan-4-imine
CID 333868
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
Diisobutyl ketazine
CID 177896124
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-propylhexan-2-imine
CID 12754207
1-Cyclohexylethanimine
CID 18727539
4-Methylhexan-2-imine
CID 21943615
2,6-Dimethylheptan-4-ylidenehydrazine
CID 22637305
2,5-Dimethylhexane-3,4-diimine
CID 53686471

Frequently Asked Questions

What is the IUPAC name of 4-ethylheptane-2,6-diimine?
The IUPAC name of 4-ethylheptane-2,6-diimine (CID 57061676) is 4-ethylheptane-2,6-diimine.
What is the SMILES notation for 4-ethylheptane-2,6-diimine?
The canonical SMILES for 4-ethylheptane-2,6-diimine is [H]/N=C(\C)CC(CC)C/C(C)=N/[H].
What is the InChIKey of 4-ethylheptane-2,6-diimine?
The InChIKey is BNDPLUITECIHCP-AMMQDNIMSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-9(5-7(2)10)6-8(3)11/h9-11H,4-6H2,1-3H3/b10-7+,11-8+.
What are the key properties of 4-ethylheptane-2,6-diimine?
4-ethylheptane-2,6-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylheptane-2,6-diimine is sourced from PubChem (CID 57061676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).