1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol

C12H24N2O — CID 103070391

IUPAC1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CNC(C)(C)C)CN1CCC(O)C1
InChIInChI=1S/C12H24N2O/c1-10(7-13-12(2,3)4)8-14-6-5-11(15)9-14/h11,13,15H,1,5-9H2,2-4H3
InChIKeyMHHIDMDOBYHZBX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds4

About 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol

1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol (PubChem CID 103070391) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
PubChem CID103070391
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CNC(C)(C)C)CN1CCC(O)C1
InChIInChI=1S/C12H24N2O/c1-10(7-13-12(2,3)4)8-14-6-5-11(15)9-14/h11,13,15H,1,5-9H2,2-4H3
InChIKeyMHHIDMDOBYHZBX-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
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

(3S)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
CID 58421498
(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
CID 58421522
(3S,4S)-1-tert-butyl-4-[(tert-butylamino)methyl]pyrrolidin-3-ol
CID 145771000
4-Amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol
CID 171788286
1-(Tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 10013037
2-[(2-Hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
1-[3-(Tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
CID 62941549
1-[3-(Tert-butylamino)propyl]pyrrolidin-3-ol
CID 62942461
1-[3-(Tert-butylamino)-2-methylpropyl]pyrrolidin-3-ol
CID 64230104
5-[[Ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol
CID 66055955
1-(4-Amino-2-methylbutan-2-yl)pyrrolidin-3-ol
CID 83816410
2-[2-[(Tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol
CID 103069512

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol (CID 103070391) is 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol is C=C(CNC(C)(C)C)CN1CCC(O)C1.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
The InChIKey is MHHIDMDOBYHZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(7-13-12(2,3)4)8-14-6-5-11(15)9-14/h11,13,15H,1,5-9H2,2-4H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
1-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 4 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-3-ol is sourced from PubChem (CID 103070391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).