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

C13H23N3O — CID 79063484

IUPAC1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cnccc1N)N(C)C
InChIInChI=1S/C13H23N3O/c1-5-13(2,16(3)4)12(17)8-10-9-15-7-6-11(10)14/h6-7,9,12,17H,5,8H2,1-4H3,(H2,14,15)
InChIKeyPCIHEVYNSLWSGW-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.30
Rot. Bonds5

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

1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol (PubChem CID 79063484) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
PubChem CID79063484
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cnccc1N)N(C)C
InChIInChI=1S/C13H23N3O/c1-5-13(2,16(3)4)12(17)8-10-9-15-7-6-11(10)14/h6-7,9,12,17H,5,8H2,1-4H3,(H2,14,15)
InChIKeyPCIHEVYNSLWSGW-UHFFFAOYSA-N
XLogP1.30
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79063613
1-(4-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069633
1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053969
3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
CID 79062969
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79062858
1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064420
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291301
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064295

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol (CID 79063484) is 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol is CCC(C)(C(O)Cc1cnccc1N)N(C)C.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The InChIKey is PCIHEVYNSLWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-13(2,16(3)4)12(17)8-10-9-15-7-6-11(10)14/h6-7,9,12,17H,5,8H2,1-4H3,(H2,14,15).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.30, 5 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)-3-(dimethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 79063484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).