6-methoxy-6-methyloctane-1,5-diamine

C10H24N2O — CID 138659080

IUPAC6-methoxy-6-methyloctane-1,5-diamine
SMILESCCC(C)(OC)C(N)CCCCN
InChIInChI=1S/C10H24N2O/c1-4-10(2,13-3)9(12)7-5-6-8-11/h9H,4-8,11-12H2,1-3H3
InChIKeyQNGOFNOIMIYYAX-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.26
Rot. Bonds7

About 6-methoxy-6-methyloctane-1,5-diamine

6-methoxy-6-methyloctane-1,5-diamine (PubChem CID 138659080) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 6-methoxy-6-methyloctane-1,5-diamine.

Molecular Properties

Compound Name6-methoxy-6-methyloctane-1,5-diamine
PubChem CID138659080
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name6-methoxy-6-methyloctane-1,5-diamine
SMILESCCC(C)(OC)C(N)CCCCN
InChIInChI=1S/C10H24N2O/c1-4-10(2,13-3)9(12)7-5-6-8-11/h9H,4-8,11-12H2,1-3H3
InChIKeyQNGOFNOIMIYYAX-UHFFFAOYSA-N
XLogP1.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyloctane-1,5-diamine?
The IUPAC name of 6-methoxy-6-methyloctane-1,5-diamine (CID 138659080) is 6-methoxy-6-methyloctane-1,5-diamine.
What is the SMILES notation for 6-methoxy-6-methyloctane-1,5-diamine?
The canonical SMILES for 6-methoxy-6-methyloctane-1,5-diamine is CCC(C)(OC)C(N)CCCCN.
What is the InChIKey of 6-methoxy-6-methyloctane-1,5-diamine?
The InChIKey is QNGOFNOIMIYYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-10(2,13-3)9(12)7-5-6-8-11/h9H,4-8,11-12H2,1-3H3.
What are the key properties of 6-methoxy-6-methyloctane-1,5-diamine?
6-methoxy-6-methyloctane-1,5-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyloctane-1,5-diamine is sourced from PubChem (CID 138659080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).