1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine

C10H24N2O — CID 114396426

IUPAC1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine
SMILESCON(C)CCC(N)CC(C)(C)C
InChIInChI=1S/C10H24N2O/c1-10(2,3)8-9(11)6-7-12(4)13-5/h9H,6-8,11H2,1-5H3
InChIKeyKBPNJAWVVOJSJH-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.63
Rot. Bonds5

About 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine

1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine (PubChem CID 114396426) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine.

Molecular Properties

Compound Name1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine
PubChem CID114396426
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine
SMILESCON(C)CCC(N)CC(C)(C)C
InChIInChI=1S/C10H24N2O/c1-10(2,3)8-9(11)6-7-12(4)13-5/h9H,6-8,11H2,1-5H3
InChIKeyKBPNJAWVVOJSJH-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine?
The IUPAC name of 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine (CID 114396426) is 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine.
What is the SMILES notation for 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine?
The canonical SMILES for 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine is CON(C)CCC(N)CC(C)(C)C.
What is the InChIKey of 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine?
The InChIKey is KBPNJAWVVOJSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-10(2,3)8-9(11)6-7-12(4)13-5/h9H,6-8,11H2,1-5H3.
What are the key properties of 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine?
1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine is sourced from PubChem (CID 114396426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).