3-(1-methoxyethyl)heptane-1,6-diimine

C10H20N2O — CID 139990771

IUPAC3-(1-methoxyethyl)heptane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(C)=N/[H])C(C)OC
InChIInChI=1S/C10H20N2O/c1-8(12)4-5-10(6-7-11)9(2)13-3/h7,9-12H,4-6H2,1-3H3/b11-7+,12-8+
InChIKeyJWBFKURUQBYNJB-MKICQXMISA-N
MW184.28 g/mol
LogP2.50
Rot. Bonds7

About 3-(1-methoxyethyl)heptane-1,6-diimine

3-(1-methoxyethyl)heptane-1,6-diimine (PubChem CID 139990771) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(1-methoxyethyl)heptane-1,6-diimine.

Molecular Properties

Compound Name3-(1-methoxyethyl)heptane-1,6-diimine
PubChem CID139990771
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(1-methoxyethyl)heptane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(C)=N/[H])C(C)OC
InChIInChI=1S/C10H20N2O/c1-8(12)4-5-10(6-7-11)9(2)13-3/h7,9-12H,4-6H2,1-3H3/b11-7+,12-8+
InChIKeyJWBFKURUQBYNJB-MKICQXMISA-N
XLogP2.50
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(1-methoxyethyl)heptane-1,6-diimine?
The IUPAC name of 3-(1-methoxyethyl)heptane-1,6-diimine (CID 139990771) is 3-(1-methoxyethyl)heptane-1,6-diimine.
What is the SMILES notation for 3-(1-methoxyethyl)heptane-1,6-diimine?
The canonical SMILES for 3-(1-methoxyethyl)heptane-1,6-diimine is [H]/N=C/CC(CC/C(C)=N/[H])C(C)OC.
What is the InChIKey of 3-(1-methoxyethyl)heptane-1,6-diimine?
The InChIKey is JWBFKURUQBYNJB-MKICQXMISA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(12)4-5-10(6-7-11)9(2)13-3/h7,9-12H,4-6H2,1-3H3/b11-7+,12-8+.
What are the key properties of 3-(1-methoxyethyl)heptane-1,6-diimine?
3-(1-methoxyethyl)heptane-1,6-diimine has a molecular weight of 184.28 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)heptane-1,6-diimine is sourced from PubChem (CID 139990771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).