2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol

C13H26N2O — CID 103071403

IUPAC2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
SMILESC=C(CNC(C)C)CN1CCC(CCO)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-6-4-13(10-15)5-7-16/h11,13-14,16H,3-10H2,1-2H3
InChIKeyMLIJFLNWTNKOGN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.24
Rot. Bonds7

About 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol

2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol (PubChem CID 103071403) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
PubChem CID103071403
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
SMILESC=C(CNC(C)C)CN1CCC(CCO)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-6-4-13(10-15)5-7-16/h11,13-14,16H,3-10H2,1-2H3
InChIKeyMLIJFLNWTNKOGN-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.24
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

N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071247
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
2-[1-[[4-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 114800043
2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068829
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol (CID 103071403) is 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol is C=C(CNC(C)C)CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol?
The InChIKey is MLIJFLNWTNKOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-6-4-13(10-15)5-7-16/h11,13-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103071403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).