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

C5H16Cl2N2O — CID 122163888

IUPACN'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride
SMILESCON(C)CCCN.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-7(8-2)5-3-4-6;;/h3-6H2,1-2H3;2*1H
InChIKeyCBRXWJWTCYSLGU-UHFFFAOYSA-N
MW191.10 g/mol
LogP0.67
Rot. Bonds4

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

N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride (PubChem CID 122163888) has the molecular formula C5H16Cl2N2O and a molecular weight of 191.10 g/mol. Its IUPAC name is N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride
PubChem CID122163888
Molecular FormulaC5H16Cl2N2O
Molecular Weight191.10 g/mol
Exact Mass190.06
IUPAC NameN'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride
SMILESCON(C)CCCN.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-7(8-2)5-3-4-6;;/h3-6H2,1-2H3;2*1H
InChIKeyCBRXWJWTCYSLGU-UHFFFAOYSA-N
XLogP0.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 50.67
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;dihydrochloride?
The IUPAC name of N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride (CID 122163888) is N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride is CON(C)CCCN.Cl.Cl.
What is the InChIKey of N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride?
The InChIKey is CBRXWJWTCYSLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.2ClH/c1-7(8-2)5-3-4-6;;/h3-6H2,1-2H3;2*1H.
What are the key properties of N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride?
N'-methoxy-N'-methylpropane-1,3-diamine;dihydrochloride has a molecular weight of 191.10 g/mol, XLogP of 0.67, 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;dihydrochloride is sourced from PubChem (CID 122163888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).