2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol

C13H22N2O — CID 111118943

IUPAC2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1cccnc1
InChIInChI=1S/C13H22N2O/c1-4-11(2)13(3,16)10-15-9-12-6-5-7-14-8-12/h5-8,11,15-16H,4,9-10H2,1-3H3
InChIKeyPVHQEQFWABHVSG-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.97
Rot. Bonds6

About 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol

2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol (PubChem CID 111118943) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
PubChem CID111118943
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1cccnc1
InChIInChI=1S/C13H22N2O/c1-4-11(2)13(3,16)10-15-9-12-6-5-7-14-8-12/h5-8,11,15-16H,4,9-10H2,1-3H3
InChIKeyPVHQEQFWABHVSG-UHFFFAOYSA-N
XLogP1.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623487
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 63934733
3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
CID 111470754
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
CID 111119402
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115616065
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
tert-butyl-[(2S)-4-(pyridin-3-ylmethylamino)butan-2-yl]carbamic acid
CID 66594636
3-methyl-1-(pyridin-3-ylmethylamino)butan-2-one;molecular hydrogen
CID 143466705
2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118878
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol (CID 111118943) is 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol is CCC(C)C(C)(O)CNCc1cccnc1.
What is the InChIKey of 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol?
The InChIKey is PVHQEQFWABHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-11(2)13(3,16)10-15-9-12-6-5-7-14-8-12/h5-8,11,15-16H,4,9-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol?
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 111118943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).