prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride

C9H20Cl2N2 — CID 170853109

IUPACprop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride
SMILESC=CCN.C=CCNCC=C.Cl.Cl
InChIInChI=1S/C6H11N.C3H7N.2ClH/c1-3-5-7-6-4-2;1-2-3-4;;/h3-4,7H,1-2,5-6H2;2H,1,3-4H2;2*1H
InChIKeyUVEYYRDVVOZUQV-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.92
Rot. Bonds5

About prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride

prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride (PubChem CID 170853109) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride.

Molecular Properties

Compound Nameprop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride
PubChem CID170853109
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Nameprop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride
SMILESC=CCN.C=CCNCC=C.Cl.Cl
InChIInChI=1S/C6H11N.C3H7N.2ClH/c1-3-5-7-6-4-2;1-2-3-4;;/h3-4,7H,1-2,5-6H2;2H,1,3-4H2;2*1H
InChIKeyUVEYYRDVVOZUQV-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
The IUPAC name of prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride (CID 170853109) is prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride.
What is the SMILES notation for prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
The canonical SMILES for prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride is C=CCN.C=CCNCC=C.Cl.Cl.
What is the InChIKey of prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
The InChIKey is UVEYYRDVVOZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C3H7N.2ClH/c1-3-5-7-6-4-2;1-2-3-4;;/h3-4,7H,1-2,5-6H2;2H,1,3-4H2;2*1H.
What are the key properties of prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride is sourced from PubChem (CID 170853109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).