N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine

C9H18N2 — CID 58293291

IUPACN,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine
SMILESC=CCC1(NC)CCN(C)C1
InChIInChI=1S/C9H18N2/c1-4-5-9(10-2)6-7-11(3)8-9/h4,10H,1,5-8H2,2-3H3
InChIKeyOJDZRNSEXFTUHC-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

About N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine

N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine (PubChem CID 58293291) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine
PubChem CID58293291
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine
SMILESC=CCC1(NC)CCN(C)C1
InChIInChI=1S/C9H18N2/c1-4-5-9(10-2)6-7-11(3)8-9/h4,10H,1,5-8H2,2-3H3
InChIKeyOJDZRNSEXFTUHC-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 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 ≤ 50.86
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 N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine?
The IUPAC name of N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine (CID 58293291) is N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine.
What is the SMILES notation for N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine?
The canonical SMILES for N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine is C=CCC1(NC)CCN(C)C1.
What is the InChIKey of N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine?
The InChIKey is OJDZRNSEXFTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-9(10-2)6-7-11(3)8-9/h4,10H,1,5-8H2,2-3H3.
What are the key properties of N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine?
N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine is sourced from PubChem (CID 58293291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).