2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine

C11H22N2 — CID 103071163

IUPAC2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1C(C)CCC1CC
InChIInChI=1S/C11H22N2/c1-4-11-6-5-10(3)13(11)8-9(2)7-12/h10-11H,2,4-8,12H2,1,3H3
InChIKeyUXYUFWUGXUZQEZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.76
Rot. Bonds4

About 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103071163) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103071163
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1C(C)CCC1CC
InChIInChI=1S/C11H22N2/c1-4-11-6-5-10(3)13(11)8-9(2)7-12/h10-11H,2,4-8,12H2,1,3H3
InChIKeyUXYUFWUGXUZQEZ-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.76
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

1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
CID 103934796
1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 75399387
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
CID 83218882
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine
CID 83227064
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 83219044
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine
CID 83219988
2-ethyl-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-amine
CID 83219853
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
CID 83135393
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 83218723

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (CID 103071163) is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is C=C(CN)CN1C(C)CCC1CC.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is UXYUFWUGXUZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-11-6-5-10(3)13(11)8-9(2)7-12/h10-11H,2,4-8,12H2,1,3H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).