1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

C12H24N2O — CID 115894184

IUPAC1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1CC(C)N(C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)9-15-6-5-13-12-7-11(3)14(4)8-12/h11-13H,1,5-9H2,2-4H3
InChIKeyYUQCLIOROMHUDH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

About 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (PubChem CID 115894184) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
PubChem CID115894184
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1CC(C)N(C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)9-15-6-5-13-12-7-11(3)14(4)8-12/h11-13H,1,5-9H2,2-4H3
InChIKeyYUQCLIOROMHUDH-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070552
N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070553
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070556
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914528
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine
CID 106617524
N-(2-methoxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
CID 106617525
N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106617725
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine
CID 106617735
2-(2-methylprop-2-enoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634499
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (CID 115894184) is 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is C=C(C)COCCNC1CC(C)N(C)C1.
What is the InChIKey of 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is YUQCLIOROMHUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)9-15-6-5-13-12-7-11(3)14(4)8-12/h11-13H,1,5-9H2,2-4H3.
What are the key properties of 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115894184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).