1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol

C10H20N2O — CID 131114201

IUPAC1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol
SMILESC=C(CN)CN1CCC(O)C1(C)C
InChIInChI=1S/C10H20N2O/c1-8(6-11)7-12-5-4-9(13)10(12,2)3/h9,13H,1,4-7,11H2,2-3H3
InChIKeyJAMCFLZIGLLVKG-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.35
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol

1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol (PubChem CID 131114201) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol
PubChem CID131114201
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol
SMILESC=C(CN)CN1CCC(O)C1(C)C
InChIInChI=1S/C10H20N2O/c1-8(6-11)7-12-5-4-9(13)10(12,2)3/h9,13H,1,4-7,11H2,2-3H3
InChIKeyJAMCFLZIGLLVKG-UHFFFAOYSA-N
XLogP0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103069720
1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016800
1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol
CID 130658724
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol
CID 131067156
1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol
CID 103069751
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071163
3-hydroxy-2,2-dimethylpyrrolidine-1-carbonitrile
CID 127014466
2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103537423
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008
(3R)-1-tert-butyl-2,2-dimethylpyrrolidin-3-ol
CID 168820539
1-(3-methoxypropyl)-2,2-dimethylpiperidin-3-ol
CID 117019027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol (CID 131114201) is 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol is C=C(CN)CN1CCC(O)C1(C)C.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is JAMCFLZIGLLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(6-11)7-12-5-4-9(13)10(12,2)3/h9,13H,1,4-7,11H2,2-3H3.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol?
1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 131114201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).