N'-methoxy-N'-methylpropane-1,3-diamine

C5H14N2O — CID 14975839

IUPACN'-methoxy-N'-methylpropane-1,3-diamine
SMILESCON(C)CCCN
InChIInChI=1S/C5H14N2O/c1-7(8-2)5-3-4-6/h3-6H2,1-2H3
InChIKeyBCRGFHQZNRQJKA-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.17
Rot. Bonds4

About N'-methoxy-N'-methylpropane-1,3-diamine

N'-methoxy-N'-methylpropane-1,3-diamine (PubChem CID 14975839) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is N'-methoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methoxy-N'-methylpropane-1,3-diamine
PubChem CID14975839
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC NameN'-methoxy-N'-methylpropane-1,3-diamine
SMILESCON(C)CCCN
InChIInChI=1S/C5H14N2O/c1-7(8-2)5-3-4-6/h3-6H2,1-2H3
InChIKeyBCRGFHQZNRQJKA-UHFFFAOYSA-N
XLogP-0.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.17
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 N'-methoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-methoxy-N'-methylpropane-1,3-diamine (CID 14975839) is N'-methoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-methoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-methoxy-N'-methylpropane-1,3-diamine is CON(C)CCCN.
What is the InChIKey of N'-methoxy-N'-methylpropane-1,3-diamine?
The InChIKey is BCRGFHQZNRQJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-7(8-2)5-3-4-6/h3-6H2,1-2H3.
What are the key properties of N'-methoxy-N'-methylpropane-1,3-diamine?
N'-methoxy-N'-methylpropane-1,3-diamine has a molecular weight of 118.18 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 14975839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).