azane;N-propylpropan-1-amine;trihydrochloride

C6H21Cl3N2 — CID 173212322

IUPACazane;N-propylpropan-1-amine;trihydrochloride
SMILESCCCNCCC.Cl.Cl.Cl.N
InChIInChI=1S/C6H15N.3ClH.H3N/c1-3-5-7-6-4-2;;;;/h7H,3-6H2,1-2H3;3*1H;1H3
InChIKeyGOMVLDRBMIAUHY-UHFFFAOYSA-N
MW227.61 g/mol
LogP2.82
Rot. Bonds4

About azane;N-propylpropan-1-amine;trihydrochloride

azane;N-propylpropan-1-amine;trihydrochloride (PubChem CID 173212322) has the molecular formula C6H21Cl3N2 and a molecular weight of 227.61 g/mol. Its IUPAC name is azane;N-propylpropan-1-amine;trihydrochloride.

Molecular Properties

Compound Nameazane;N-propylpropan-1-amine;trihydrochloride
PubChem CID173212322
Molecular FormulaC6H21Cl3N2
Molecular Weight227.61 g/mol
Exact Mass226.08
IUPAC Nameazane;N-propylpropan-1-amine;trihydrochloride
SMILESCCCNCCC.Cl.Cl.Cl.N
InChIInChI=1S/C6H15N.3ClH.H3N/c1-3-5-7-6-4-2;;;;/h7H,3-6H2,1-2H3;3*1H;1H3
InChIKeyGOMVLDRBMIAUHY-UHFFFAOYSA-N
XLogP2.82
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N-propylpropan-1-amine;trihydrochloride?
The IUPAC name of azane;N-propylpropan-1-amine;trihydrochloride (CID 173212322) is azane;N-propylpropan-1-amine;trihydrochloride.
What is the SMILES notation for azane;N-propylpropan-1-amine;trihydrochloride?
The canonical SMILES for azane;N-propylpropan-1-amine;trihydrochloride is CCCNCCC.Cl.Cl.Cl.N.
What is the InChIKey of azane;N-propylpropan-1-amine;trihydrochloride?
The InChIKey is GOMVLDRBMIAUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.3ClH.H3N/c1-3-5-7-6-4-2;;;;/h7H,3-6H2,1-2H3;3*1H;1H3.
What are the key properties of azane;N-propylpropan-1-amine;trihydrochloride?
azane;N-propylpropan-1-amine;trihydrochloride has a molecular weight of 227.61 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-propylpropan-1-amine;trihydrochloride is sourced from PubChem (CID 173212322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).