2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol

C10H16N2O2 — CID 82341853

IUPAC2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncccc1CO
InChIInChI=1S/C10H16N2O2/c1-2-9(7-14)12-10-8(6-13)4-3-5-11-10/h3-5,9,13-14H,2,6-7H2,1H3,(H,11,12)
InChIKeySMSCUVFXJGAMPU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.76
Rot. Bonds5

About 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol

2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol (PubChem CID 82341853) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
PubChem CID82341853
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncccc1CO
InChIInChI=1S/C10H16N2O2/c1-2-9(7-14)12-10-8(6-13)4-3-5-11-10/h3-5,9,13-14H,2,6-7H2,1H3,(H,11,12)
InChIKeySMSCUVFXJGAMPU-UHFFFAOYSA-N
XLogP0.76
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
CID 133434655
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
CID 131154572
2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
2-[(5-amino-7-methylisoquinolin-1-yl)amino]butan-1-ol
CID 82570347
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol (CID 82341853) is 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol is CCC(CO)Nc1ncccc1CO.
What is the InChIKey of 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol?
The InChIKey is SMSCUVFXJGAMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-9(7-14)12-10-8(6-13)4-3-5-11-10/h3-5,9,13-14H,2,6-7H2,1H3,(H,11,12).
What are the key properties of 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol?
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 82341853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).