[1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol

C13H26N2O — CID 103069578

IUPAC[1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC(C)(C)C)CN1CCCC1CO
InChIInChI=1S/C13H26N2O/c1-11(8-14-13(2,3)4)9-15-7-5-6-12(15)10-16/h12,14,16H,1,5-10H2,2-4H3
InChIKeyJRRGEMPNAHCAOG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds5

About [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol

[1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 103069578) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID103069578
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC(C)(C)C)CN1CCCC1CO
InChIInChI=1S/C13H26N2O/c1-11(8-14-13(2,3)4)9-15-7-5-6-12(15)10-16/h12,14,16H,1,5-10H2,2-4H3
InChIKeyJRRGEMPNAHCAOG-UHFFFAOYSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol (CID 103069578) is [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol is C=C(CNC(C)(C)C)CN1CCCC1CO.
What is the InChIKey of [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is JRRGEMPNAHCAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(8-14-13(2,3)4)9-15-7-5-6-12(15)10-16/h12,14,16H,1,5-10H2,2-4H3.
What are the key properties of [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
[1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103069578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).