3-methoxy-3-methylpentane-1,4-diamine

C7H18N2O — CID 87439375

IUPAC3-methoxy-3-methylpentane-1,4-diamine
SMILESCOC(C)(CCN)C(C)N
InChIInChI=1S/C7H18N2O/c1-6(9)7(2,10-3)4-5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyQLTBLSWZZZNWAQ-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.09
Rot. Bonds4

About 3-methoxy-3-methylpentane-1,4-diamine

3-methoxy-3-methylpentane-1,4-diamine (PubChem CID 87439375) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-methoxy-3-methylpentane-1,4-diamine.

Molecular Properties

Compound Name3-methoxy-3-methylpentane-1,4-diamine
PubChem CID87439375
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-methoxy-3-methylpentane-1,4-diamine
SMILESCOC(C)(CCN)C(C)N
InChIInChI=1S/C7H18N2O/c1-6(9)7(2,10-3)4-5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyQLTBLSWZZZNWAQ-UHFFFAOYSA-N
XLogP0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylpentane-1,4-diamine?
The IUPAC name of 3-methoxy-3-methylpentane-1,4-diamine (CID 87439375) is 3-methoxy-3-methylpentane-1,4-diamine.
What is the SMILES notation for 3-methoxy-3-methylpentane-1,4-diamine?
The canonical SMILES for 3-methoxy-3-methylpentane-1,4-diamine is COC(C)(CCN)C(C)N.
What is the InChIKey of 3-methoxy-3-methylpentane-1,4-diamine?
The InChIKey is QLTBLSWZZZNWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(9)7(2,10-3)4-5-8/h6H,4-5,8-9H2,1-3H3.
What are the key properties of 3-methoxy-3-methylpentane-1,4-diamine?
3-methoxy-3-methylpentane-1,4-diamine has a molecular weight of 146.23 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylpentane-1,4-diamine is sourced from PubChem (CID 87439375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).