1-methyl-N-prop-2-enylpyrrolidin-3-amine

C8H16N2 — CID 62142409

IUPAC1-methyl-N-prop-2-enylpyrrolidin-3-amine
SMILESC=CCNC1CCN(C)C1
InChIInChI=1S/C8H16N2/c1-3-5-9-8-4-6-10(2)7-8/h3,8-9H,1,4-7H2,2H3
InChIKeyIAQQMZSUJSYZRF-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds3

About 1-methyl-N-prop-2-enylpyrrolidin-3-amine

1-methyl-N-prop-2-enylpyrrolidin-3-amine (PubChem CID 62142409) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-prop-2-enylpyrrolidin-3-amine
PubChem CID62142409
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-methyl-N-prop-2-enylpyrrolidin-3-amine
SMILESC=CCNC1CCN(C)C1
InChIInChI=1S/C8H16N2/c1-3-5-9-8-4-6-10(2)7-8/h3,8-9H,1,4-7H2,2H3
InChIKeyIAQQMZSUJSYZRF-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.47
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-methyl-N-prop-2-enylpyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-prop-2-enylpyrrolidin-3-amine (CID 62142409) is 1-methyl-N-prop-2-enylpyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-prop-2-enylpyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-prop-2-enylpyrrolidin-3-amine is C=CCNC1CCN(C)C1.
What is the InChIKey of 1-methyl-N-prop-2-enylpyrrolidin-3-amine?
The InChIKey is IAQQMZSUJSYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-9-8-4-6-10(2)7-8/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-methyl-N-prop-2-enylpyrrolidin-3-amine?
1-methyl-N-prop-2-enylpyrrolidin-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enylpyrrolidin-3-amine is sourced from PubChem (CID 62142409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).