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

C11H24N2 — CID 123853459

IUPACN,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane
SMILESC=CCC1(NC)CCN(C)C1.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-5-9(10-2)6-7-11(3)8-9;1-2/h4,10H,1,5-8H2,2-3H3;1-2H3
InChIKeyXLNLCKZTXNSQSG-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds3

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

N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane (PubChem CID 123853459) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane.

Molecular Properties

Compound NameN,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane
PubChem CID123853459
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane
SMILESC=CCC1(NC)CCN(C)C1.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-5-9(10-2)6-7-11(3)8-9;1-2/h4,10H,1,5-8H2,2-3H3;1-2H3
InChIKeyXLNLCKZTXNSQSG-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
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;ethane?
The IUPAC name of N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane (CID 123853459) is N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane.
What is the SMILES notation for N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane?
The canonical SMILES for N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane is C=CCC1(NC)CCN(C)C1.CC.
What is the InChIKey of N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane?
The InChIKey is XLNLCKZTXNSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-4-5-9(10-2)6-7-11(3)8-9;1-2/h4,10H,1,5-8H2,2-3H3;1-2H3.
What are the key properties of N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane?
N,1-dimethyl-3-prop-2-enylpyrrolidin-3-amine;ethane has a molecular weight of 184.33 g/mol, XLogP of 1.88, 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;ethane is sourced from PubChem (CID 123853459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).