2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol

C11H19N3O — CID 83929772

IUPAC2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
SMILESCN(C)CCC(N)C(O)c1cccnc1
InChIInChI=1S/C11H19N3O/c1-14(2)7-5-10(12)11(15)9-4-3-6-13-8-9/h3-4,6,8,10-11,15H,5,7,12H2,1-2H3
InChIKeyRTIWBNJJFYXTDK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.39
Rot. Bonds5

About 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol

2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol (PubChem CID 83929772) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
PubChem CID83929772
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
SMILESCN(C)CCC(N)C(O)c1cccnc1
InChIInChI=1S/C11H19N3O/c1-14(2)7-5-10(12)11(15)9-4-3-6-13-8-9/h3-4,6,8,10-11,15H,5,7,12H2,1-2H3
InChIKeyRTIWBNJJFYXTDK-UHFFFAOYSA-N
XLogP0.39
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol
CID 83930273
3-hydrazinyl-N,N-dimethyl-3-pyridin-3-ylpropan-1-amine
CID 105259347
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
CID 164650292
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
CID 83935836
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
1-N,4-dimethyl-1-N-(2-pyridin-3-ylethyl)pentane-1,3-diamine
CID 81490426
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol?
The IUPAC name of 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol (CID 83929772) is 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol is CN(C)CCC(N)C(O)c1cccnc1.
What is the InChIKey of 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol?
The InChIKey is RTIWBNJJFYXTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14(2)7-5-10(12)11(15)9-4-3-6-13-8-9/h3-4,6,8,10-11,15H,5,7,12H2,1-2H3.
What are the key properties of 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol?
2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 83929772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).