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

C8H16N2 — CID 117266264

IUPAC2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
SMILESC=C(CN)C1CCN(C)C1
InChIInChI=1S/C8H16N2/c1-7(5-9)8-3-4-10(2)6-8/h8H,1,3-6,9H2,2H3
InChIKeyLXUCQTDQNBNWNP-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.45
Rot. Bonds2

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

2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine (PubChem CID 117266264) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
PubChem CID117266264
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
SMILESC=C(CN)C1CCN(C)C1
InChIInChI=1S/C8H16N2/c1-7(5-9)8-3-4-10(2)6-8/h8H,1,3-6,9H2,2H3
InChIKeyLXUCQTDQNBNWNP-UHFFFAOYSA-N
XLogP0.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpiperidin-4-yl)but-3-en-1-amine
CID 117268269
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
N-methyl-2-(1-methylpiperidin-3-yl)prop-2-en-1-amine
CID 117266322
3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915700
(E)-3-(1-methylpyrrolidin-3-yl)-N'-prop-1-en-2-ylbut-2-enimidamide
CID 178044420
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
1-(1-methylpiperidin-3-yl)ethenamine
CID 58035148
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572
2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915429
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine (CID 117266264) is 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine is C=C(CN)C1CCN(C)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
The InChIKey is LXUCQTDQNBNWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(5-9)8-3-4-10(2)6-8/h8H,1,3-6,9H2,2H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine?
2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 117266264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).