3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol

C13H21N3O — CID 62479564

IUPAC3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1ncccc1CN1CCCC1CCCO
InChIInChI=1S/C13H21N3O/c14-13-11(4-1-7-15-13)10-16-8-2-5-12(16)6-3-9-17/h1,4,7,12,17H,2-3,5-6,8-10H2,(H2,14,15)
InChIKeyBYGUUGGWMWVEEI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds5

About 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62479564) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62479564
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1ncccc1CN1CCCC1CCCO
InChIInChI=1S/C13H21N3O/c14-13-11(4-1-7-15-13)10-16-8-2-5-12(16)6-3-9-17/h1,4,7,12,17H,2-3,5-6,8-10H2,(H2,14,15)
InChIKeyBYGUUGGWMWVEEI-UHFFFAOYSA-N
XLogP1.40
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62893634
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol
CID 74230838
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 63571354
3-[1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 64769785
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103045
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
3-[1-[(2-amino-5-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478851

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62479564) is 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol is Nc1ncccc1CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BYGUUGGWMWVEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-13-11(4-1-7-15-13)10-16-8-2-5-12(16)6-3-9-17/h1,4,7,12,17H,2-3,5-6,8-10H2,(H2,14,15).
What are the key properties of 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62479564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).