N'-methoxypropane-1,3-diamine;hydrochloride

C4H13ClN2O — CID 122360475

IUPACN'-methoxypropane-1,3-diamine;hydrochloride
SMILESCONCCCN.Cl
InChIInChI=1S/C4H12N2O.ClH/c1-7-6-4-2-3-5;/h6H,2-5H2,1H3;1H
InChIKeyBRDNLNPOMMVFSJ-UHFFFAOYSA-N
MW140.61 g/mol
LogP-0.09
Rot. Bonds4

About N'-methoxypropane-1,3-diamine;hydrochloride

N'-methoxypropane-1,3-diamine;hydrochloride (PubChem CID 122360475) has the molecular formula C4H13ClN2O and a molecular weight of 140.61 g/mol. Its IUPAC name is N'-methoxypropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-methoxypropane-1,3-diamine;hydrochloride
PubChem CID122360475
Molecular FormulaC4H13ClN2O
Molecular Weight140.61 g/mol
Exact Mass140.07
IUPAC NameN'-methoxypropane-1,3-diamine;hydrochloride
SMILESCONCCCN.Cl
InChIInChI=1S/C4H12N2O.ClH/c1-7-6-4-2-3-5;/h6H,2-5H2,1H3;1H
InChIKeyBRDNLNPOMMVFSJ-UHFFFAOYSA-N
XLogP-0.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.61
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methoxypropane-1,3-diamine;hydrochloride?
The IUPAC name of N'-methoxypropane-1,3-diamine;hydrochloride (CID 122360475) is N'-methoxypropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-methoxypropane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-methoxypropane-1,3-diamine;hydrochloride is CONCCCN.Cl.
What is the InChIKey of N'-methoxypropane-1,3-diamine;hydrochloride?
The InChIKey is BRDNLNPOMMVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.ClH/c1-7-6-4-2-3-5;/h6H,2-5H2,1H3;1H.
What are the key properties of N'-methoxypropane-1,3-diamine;hydrochloride?
N'-methoxypropane-1,3-diamine;hydrochloride has a molecular weight of 140.61 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 N'-methoxypropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 122360475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).