2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine

C9H18N2 — CID 164659550

IUPAC2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1CCN(C)C1
InChIInChI=1S/C9H18N2/c1-7(2)9(10)8-4-5-11(3)6-8/h8-9H,1,4-6,10H2,2-3H3
InChIKeyWRXGUAGBYSSYAR-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.84
Rot. Bonds2

About 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine

2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine (PubChem CID 164659550) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
PubChem CID164659550
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1CCN(C)C1
InChIInChI=1S/C9H18N2/c1-7(2)9(10)8-4-5-11(3)6-8/h8-9H,1,4-6,10H2,2-3H3
InChIKeyWRXGUAGBYSSYAR-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
CID 116935927
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 140507743
3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
CID 116946834
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
1-(1,1-dioxothiolan-3-yl)-2-methylprop-2-en-1-amine
CID 115336612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine (CID 164659550) is 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine is C=C(C)C(N)C1CCN(C)C1.
What is the InChIKey of 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
The InChIKey is WRXGUAGBYSSYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9(10)8-4-5-11(3)6-8/h8-9H,1,4-6,10H2,2-3H3.
What are the key properties of 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 164659550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).