N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine

C11H22N2 — CID 59140461

IUPACN,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine
SMILESC=C(C)N1CCC(CCN(C)C)C1
InChIInChI=1S/C11H22N2/c1-10(2)13-8-6-11(9-13)5-7-12(3)4/h11H,1,5-9H2,2-4H3
InChIKeyYVLFPEKFZOJMGO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.79
Rot. Bonds4

About N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine

N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine (PubChem CID 59140461) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine
PubChem CID59140461
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine
SMILESC=C(C)N1CCC(CCN(C)C)C1
InChIInChI=1S/C11H22N2/c1-10(2)13-8-6-11(9-13)5-7-12(3)4/h11H,1,5-9H2,2-4H3
InChIKeyYVLFPEKFZOJMGO-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine (CID 59140461) is N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine is C=C(C)N1CCC(CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine?
The InChIKey is YVLFPEKFZOJMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)13-8-6-11(9-13)5-7-12(3)4/h11H,1,5-9H2,2-4H3.
What are the key properties of N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine?
N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-prop-1-en-2-ylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 59140461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).