4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H25N3O2 — CID 116686363

IUPAC4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)CCN(C)C)c1O
InChIInChI=1S/C14H25N3O2/c1-10(5-6-17(3)4)15-8-13-12(9-18)7-16-11(2)14(13)19/h7,10,15,18-19H,5-6,8-9H2,1-4H3
InChIKeyNCMMWTPPNNRKLU-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.02
Rot. Bonds7

About 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 116686363) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID116686363
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)CCN(C)C)c1O
InChIInChI=1S/C14H25N3O2/c1-10(5-6-17(3)4)15-8-13-12(9-18)7-16-11(2)14(13)19/h7,10,15,18-19H,5-6,8-9H2,1-4H3
InChIKeyNCMMWTPPNNRKLU-UHFFFAOYSA-N
XLogP1.02
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 116686363) is 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNC(C)CCN(C)C)c1O.
What is the InChIKey of 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is NCMMWTPPNNRKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(5-6-17(3)4)15-8-13-12(9-18)7-16-11(2)14(13)19/h7,10,15,18-19H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 267.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 116686363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).