2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol

C12H21N3O — CID 106296396

IUPAC2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1cncc(NC)c1
InChIInChI=1S/C12H21N3O/c1-4-5-12(2,16)9-15-11-6-10(13-3)7-14-8-11/h6-8,13,15-16H,4-5,9H2,1-3H3
InChIKeyUWFGOXZXGNCDSF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.09
Rot. Bonds6

About 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol

2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol (PubChem CID 106296396) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
PubChem CID106296396
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1cncc(NC)c1
InChIInChI=1S/C12H21N3O/c1-4-5-12(2,16)9-15-11-6-10(13-3)7-14-8-11/h6-8,13,15-16H,4-5,9H2,1-3H3
InChIKeyUWFGOXZXGNCDSF-UHFFFAOYSA-N
XLogP2.09
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-amino-3-pyridinyl)amino]-2-methylpentan-2-ol
CID 106296397
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine
CID 104535385
2-methyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106294557
1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169936
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
5-ethyl-N-methylpyridin-3-amine
CID 121404012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol (CID 106296396) is 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol is CCCC(C)(O)CNc1cncc(NC)c1.
What is the InChIKey of 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
The InChIKey is UWFGOXZXGNCDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-12(2,16)9-15-11-6-10(13-3)7-14-8-11/h6-8,13,15-16H,4-5,9H2,1-3H3.
What are the key properties of 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 106296396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).