1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine

C9H18N2 — CID 70480368

IUPAC1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine
SMILESC=CCN1CCCC1C(C)N
InChIInChI=1S/C9H18N2/c1-3-6-11-7-4-5-9(11)8(2)10/h3,8-9H,1,4-7,10H2,2H3
InChIKeyZCYZMSXIVNNXIK-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.98
Rot. Bonds3

About 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine

1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine (PubChem CID 70480368) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine
PubChem CID70480368
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine
SMILESC=CCN1CCCC1C(C)N
InChIInChI=1S/C9H18N2/c1-3-6-11-7-4-5-9(11)8(2)10/h3,8-9H,1,4-7,10H2,2H3
InChIKeyZCYZMSXIVNNXIK-UHFFFAOYSA-N
XLogP0.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine?
The IUPAC name of 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine (CID 70480368) is 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine.
What is the SMILES notation for 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine?
The canonical SMILES for 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine is C=CCN1CCCC1C(C)N.
What is the InChIKey of 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine?
The InChIKey is ZCYZMSXIVNNXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-6-11-7-4-5-9(11)8(2)10/h3,8-9H,1,4-7,10H2,2H3.
What are the key properties of 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine?
1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylpyrrolidin-2-yl)ethanamine is sourced from PubChem (CID 70480368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).