5-(aminomethyl)pyrrolidin-3-ol;methanol

C6H16N2O2 — CID 145422369

IUPAC5-(aminomethyl)pyrrolidin-3-ol;methanol
SMILESCO.NCC1CC(O)CN1
InChIInChI=1S/C5H12N2O.CH4O/c6-2-4-1-5(8)3-7-4;1-2/h4-5,7-8H,1-3,6H2;2H,1H3
InChIKeyVZZWEDHVXOZLOL-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.72
Rot. Bonds1

About 5-(aminomethyl)pyrrolidin-3-ol;methanol

5-(aminomethyl)pyrrolidin-3-ol;methanol (PubChem CID 145422369) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-(aminomethyl)pyrrolidin-3-ol;methanol.

Molecular Properties

Compound Name5-(aminomethyl)pyrrolidin-3-ol;methanol
PubChem CID145422369
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name5-(aminomethyl)pyrrolidin-3-ol;methanol
SMILESCO.NCC1CC(O)CN1
InChIInChI=1S/C5H12N2O.CH4O/c6-2-4-1-5(8)3-7-4;1-2/h4-5,7-8H,1-3,6H2;2H,1H3
InChIKeyVZZWEDHVXOZLOL-UHFFFAOYSA-N
XLogP-1.72
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminomethyl-pyrrolidine-3,4-diol
CID 11852460
(2S,3R,4S)-2-methylpyrrolidine-3,4-diol
CID 10441689
(2R,3R,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
CID 11126680
2-Methyl-pyrrolidine-3,4-diol
CID 44319748
2-Cyclopentylaminomethyl-pyrrolidine-3,4-diol
CID 44462095
3,4-Pyrrolidinediol, 2-methyl-, (2S,3S,4S)-
CID 11040675
5-Methylpyrrolidin-3-ol
CID 21973779
rac-(3R,4R)-1-methyl-4-(methylamino)pyrrolidin-3-ol
CID 44141717
rac-(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3R,5R)-5-methylpyrrolidin-3-ol hydrochloride
CID 67314837
(3R,5S)-5-methylpyrrolidin-3-ol hydrochloride
CID 67315236
5-Methylpyrrolidin-3-ol hydrochloride
CID 75525738

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)pyrrolidin-3-ol;methanol?
The IUPAC name of 5-(aminomethyl)pyrrolidin-3-ol;methanol (CID 145422369) is 5-(aminomethyl)pyrrolidin-3-ol;methanol.
What is the SMILES notation for 5-(aminomethyl)pyrrolidin-3-ol;methanol?
The canonical SMILES for 5-(aminomethyl)pyrrolidin-3-ol;methanol is CO.NCC1CC(O)CN1.
What is the InChIKey of 5-(aminomethyl)pyrrolidin-3-ol;methanol?
The InChIKey is VZZWEDHVXOZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.CH4O/c6-2-4-1-5(8)3-7-4;1-2/h4-5,7-8H,1-3,6H2;2H,1H3.
What are the key properties of 5-(aminomethyl)pyrrolidin-3-ol;methanol?
5-(aminomethyl)pyrrolidin-3-ol;methanol has a molecular weight of 148.21 g/mol, XLogP of -1.72, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)pyrrolidin-3-ol;methanol is sourced from PubChem (CID 145422369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).