[2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol

C8H15N3O — CID 70418693

IUPAC[2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol
SMILESCN(C)C1(N)NC=CC=C1CO
InChIInChI=1S/C8H15N3O/c1-11(2)8(9)7(6-12)4-3-5-10-8/h3-5,10,12H,6,9H2,1-2H3
InChIKeyBXIWVGAOKSFZRF-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.80
Rot. Bonds2

About [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol

[2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol (PubChem CID 70418693) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol.

Molecular Properties

Compound Name[2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol
PubChem CID70418693
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol
SMILESCN(C)C1(N)NC=CC=C1CO
InChIInChI=1S/C8H15N3O/c1-11(2)8(9)7(6-12)4-3-5-10-8/h3-5,10,12H,6,9H2,1-2H3
InChIKeyBXIWVGAOKSFZRF-UHFFFAOYSA-N
XLogP-0.80
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol?
The IUPAC name of [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol (CID 70418693) is [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol.
What is the SMILES notation for [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol?
The canonical SMILES for [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol is CN(C)C1(N)NC=CC=C1CO.
What is the InChIKey of [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol?
The InChIKey is BXIWVGAOKSFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11(2)8(9)7(6-12)4-3-5-10-8/h3-5,10,12H,6,9H2,1-2H3.
What are the key properties of [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol?
[2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol has a molecular weight of 169.23 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(dimethylamino)-1H-pyridin-3-yl]methanol is sourced from PubChem (CID 70418693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).