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

C6H13Cl2N — CID 23073046

IUPACN-prop-2-enylprop-2-en-1-amine;dihydrochloride
SMILESC=CCNCC=C.Cl.Cl
InChIInChI=1S/C6H11N.2ClH/c1-3-5-7-6-4-2;;/h3-4,7H,1-2,5-6H2;2*1H
InChIKeyGRUZOFQWJJRQNE-UHFFFAOYSA-N
MW170.08 g/mol
LogP1.79
Rot. Bonds4

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

N-prop-2-enylprop-2-en-1-amine;dihydrochloride (PubChem CID 23073046) has the molecular formula C6H13Cl2N and a molecular weight of 170.08 g/mol. Its IUPAC name is N-prop-2-enylprop-2-en-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-prop-2-enylprop-2-en-1-amine;dihydrochloride
PubChem CID23073046
Molecular FormulaC6H13Cl2N
Molecular Weight170.08 g/mol
Exact Mass169.04
IUPAC NameN-prop-2-enylprop-2-en-1-amine;dihydrochloride
SMILESC=CCNCC=C.Cl.Cl
InChIInChI=1S/C6H11N.2ClH/c1-3-5-7-6-4-2;;/h3-4,7H,1-2,5-6H2;2*1H
InChIKeyGRUZOFQWJJRQNE-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
The IUPAC name of N-prop-2-enylprop-2-en-1-amine;dihydrochloride (CID 23073046) is N-prop-2-enylprop-2-en-1-amine;dihydrochloride.
What is the SMILES notation for N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
The canonical SMILES for N-prop-2-enylprop-2-en-1-amine;dihydrochloride is C=CCNCC=C.Cl.Cl.
What is the InChIKey of N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
The InChIKey is GRUZOFQWJJRQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.2ClH/c1-3-5-7-6-4-2;;/h3-4,7H,1-2,5-6H2;2*1H.
What are the key properties of N-prop-2-enylprop-2-en-1-amine;dihydrochloride?
N-prop-2-enylprop-2-en-1-amine;dihydrochloride has a molecular weight of 170.08 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylprop-2-en-1-amine;dihydrochloride is sourced from PubChem (CID 23073046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).