1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol

C13H26N2O — CID 62943597

IUPAC1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
SMILESCCC(C)(CNC1CC1)CN1CCC(O)C1
InChIInChI=1S/C13H26N2O/c1-3-13(2,9-14-11-4-5-11)10-15-7-6-12(16)8-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyGBNAYFRNYOQBBE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds6

About 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol

1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol (PubChem CID 62943597) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
PubChem CID62943597
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
SMILESCCC(C)(CNC1CC1)CN1CCC(O)C1
InChIInChI=1S/C13H26N2O/c1-3-13(2,9-14-11-4-5-11)10-15-7-6-12(16)8-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyGBNAYFRNYOQBBE-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclopropylamino)-3,3-dimethylbutan-2-ol
CID 62773739
3,3-Dimethyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 71855469
(2S)-3,3-dimethyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055502
(2R)-3,3-dimethyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055503
(2S)-3,3-dimethyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055504
(2R)-3,3-dimethyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055505
1-[3-Methyl-2-(methylamino)butyl]pyrrolidin-3-ol
CID 19002746
1-[3-Methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol
CID 19440010
(3S)-1-[(2S)-3-Methyl-2-(methylamino)butyl]pyrrolidin-3-ol
CID 22857722
(3S,4S)-4-(butylamino)-1-ethylpyrrolidin-3-ol
CID 54288486
4-[(Dimethylamino)methyl]pyrrolidin-3-ol
CID 54386450
(3S)-1-[3-methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol
CID 57076862

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol (CID 62943597) is 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol is CCC(C)(CNC1CC1)CN1CCC(O)C1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol?
The InChIKey is GBNAYFRNYOQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-13(2,9-14-11-4-5-11)10-15-7-6-12(16)8-15/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol?
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).