1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol

C12H21N3O — CID 79063613

IUPAC1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1cnccc1N)N(C)C
InChIInChI=1S/C12H21N3O/c1-5-12(2,15(3)4)11(16)9-8-14-7-6-10(9)13/h6-8,11,16H,5H2,1-4H3,(H2,13,14)
InChIKeyYETSOEISEHQWSH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds4

About 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol

1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol (PubChem CID 79063613) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol
PubChem CID79063613
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1cnccc1N)N(C)C
InChIInChI=1S/C12H21N3O/c1-5-12(2,15(3)4)11(16)9-8-14-7-6-10(9)13/h6-8,11,16H,5H2,1-4H3,(H2,13,14)
InChIKeyYETSOEISEHQWSH-UHFFFAOYSA-N
XLogP1.43
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79063484
1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
CID 103449093
1-(4-amino-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053794
3-[2-(dimethylamino)-2-ethyl-1-hydrazinylbutyl]pyridin-4-amine
CID 105241711
2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
CID 79063909
2-(diethylamino)-2-methyl-1-pyridin-3-ylbutan-1-ol
CID 79064377
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 107443196
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708310
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
CID 116760962
2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103449352

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol (CID 79063613) is 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol is CCC(C)(C(O)c1cnccc1N)N(C)C.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The InChIKey is YETSOEISEHQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-12(2,15(3)4)11(16)9-8-14-7-6-10(9)13/h6-8,11,16H,5H2,1-4H3,(H2,13,14).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol?
1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 79063613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).