(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride

C13H25Cl2N3O — CID 67924545

IUPAC(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride
SMILESC[C@@H](NC[C@H](O)c1ccc(N)nc1)C(C)(C)C.Cl.Cl
InChIInChI=1S/C13H23N3O.2ClH/c1-9(13(2,3)4)15-8-11(17)10-5-6-12(14)16-7-10;;/h5-7,9,11,15,17H,8H2,1-4H3,(H2,14,16);2*1H/t9-,11+;;/m1../s1
InChIKeyZHNCWKKMYKOARS-SFGLUTOSSA-N
MW310.27 g/mol
LogP2.57
Rot. Bonds4

About (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride

(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride (PubChem CID 67924545) has the molecular formula C13H25Cl2N3O and a molecular weight of 310.27 g/mol. Its IUPAC name is (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride
PubChem CID67924545
Molecular FormulaC13H25Cl2N3O
Molecular Weight310.27 g/mol
Exact Mass309.14
IUPAC Name(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride
SMILESC[C@@H](NC[C@H](O)c1ccc(N)nc1)C(C)(C)C.Cl.Cl
InChIInChI=1S/C13H23N3O.2ClH/c1-9(13(2,3)4)15-8-11(17)10-5-6-12(14)16-7-10;;/h5-7,9,11,15,17H,8H2,1-4H3,(H2,14,16);2*1H/t9-,11+;;/m1../s1
InChIKeyZHNCWKKMYKOARS-SFGLUTOSSA-N
XLogP2.57
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 19831980
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride
CID 19832000
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
1-(6-amino-3-pyridinyl)-2-[(1,1,1,2,3,3-hexadeuterio-4-phenylbutan-2-yl)amino]ethanol;dihydrochloride
CID 172994328
1-(6-amino-3-pyridinyl)ethanol;hydrobromide
CID 142775788
(1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol
CID 14747871
1-(1,3-benzodioxol-5-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115627491
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
CID 130619060
2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-benzylacetamide
CID 69219282
5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine
CID 69291107
1-(6-amino-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819326

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride?
The IUPAC name of (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride (CID 67924545) is (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride.
What is the SMILES notation for (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride?
The canonical SMILES for (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride is C[C@@H](NC[C@H](O)c1ccc(N)nc1)C(C)(C)C.Cl.Cl.
What is the InChIKey of (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride?
The InChIKey is ZHNCWKKMYKOARS-SFGLUTOSSA-N. The full InChI is InChI=1S/C13H23N3O.2ClH/c1-9(13(2,3)4)15-8-11(17)10-5-6-12(14)16-7-10;;/h5-7,9,11,15,17H,8H2,1-4H3,(H2,14,16);2*1H/t9-,11+;;/m1../s1.
What are the key properties of (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride?
(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride has a molecular weight of 310.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride is sourced from PubChem (CID 67924545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).