3-(dipropylamino)propanimidamide;dihydrochloride

C9H23Cl2N3 — CID 42614717

IUPAC3-(dipropylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CCC)CCC
InChIInChI=1S/C9H21N3.2ClH/c1-3-6-12(7-4-2)8-5-9(10)11;;/h3-8H2,1-2H3,(H3,10,11);2*1H
InChIKeyIWFLXQPFVGZSOU-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.28
Rot. Bonds7

About 3-(dipropylamino)propanimidamide;dihydrochloride

3-(dipropylamino)propanimidamide;dihydrochloride (PubChem CID 42614717) has the molecular formula C9H23Cl2N3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-(dipropylamino)propanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-(dipropylamino)propanimidamide;dihydrochloride
PubChem CID42614717
Molecular FormulaC9H23Cl2N3
Molecular Weight244.21 g/mol
Exact Mass243.13
IUPAC Name3-(dipropylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CCC)CCC
InChIInChI=1S/C9H21N3.2ClH/c1-3-6-12(7-4-2)8-5-9(10)11;;/h3-8H2,1-2H3,(H3,10,11);2*1H
InChIKeyIWFLXQPFVGZSOU-UHFFFAOYSA-N
XLogP2.28
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)propanimidamide;dihydrochloride?
The IUPAC name of 3-(dipropylamino)propanimidamide;dihydrochloride (CID 42614717) is 3-(dipropylamino)propanimidamide;dihydrochloride.
What is the SMILES notation for 3-(dipropylamino)propanimidamide;dihydrochloride?
The canonical SMILES for 3-(dipropylamino)propanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCN(CCC)CCC.
What is the InChIKey of 3-(dipropylamino)propanimidamide;dihydrochloride?
The InChIKey is IWFLXQPFVGZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.2ClH/c1-3-6-12(7-4-2)8-5-9(10)11;;/h3-8H2,1-2H3,(H3,10,11);2*1H.
What are the key properties of 3-(dipropylamino)propanimidamide;dihydrochloride?
3-(dipropylamino)propanimidamide;dihydrochloride has a molecular weight of 244.21 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)propanimidamide;dihydrochloride is sourced from PubChem (CID 42614717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).