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

C9H18N2 — CID 86717695

IUPACprop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN.C=CCNCC=C
InChIInChI=1S/C6H11N.C3H7N/c1-3-5-7-6-4-2;1-2-3-4/h3-4,7H,1-2,5-6H2;2H,1,3-4H2
InChIKeyOLXWNBXEDUWVHG-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.08
Rot. Bonds5

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

prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine (PubChem CID 86717695) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameprop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
PubChem CID86717695
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameprop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN.C=CCNCC=C
InChIInChI=1S/C6H11N.C3H7N/c1-3-5-7-6-4-2;1-2-3-4/h3-4,7H,1-2,5-6H2;2H,1,3-4H2
InChIKeyOLXWNBXEDUWVHG-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.08
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?
The IUPAC name of prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine (CID 86717695) is prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine is C=CCN.C=CCNCC=C.
What is the InChIKey of prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is OLXWNBXEDUWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C3H7N/c1-3-5-7-6-4-2;1-2-3-4/h3-4,7H,1-2,5-6H2;2H,1,3-4H2.
What are the key properties of prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine?
prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.08, 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 is sourced from PubChem (CID 86717695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).