4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol

C12H20N2O — CID 115976030

IUPAC4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
SMILESCc1cc(C)nc(NC(C)CCCO)c1
InChIInChI=1S/C12H20N2O/c1-9-7-11(3)14-12(8-9)13-10(2)5-4-6-15/h7-8,10,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyVOYGTQRZGWBMGR-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.27
Rot. Bonds5

About 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol

4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol (PubChem CID 115976030) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
PubChem CID115976030
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
SMILESCc1cc(C)nc(NC(C)CCCO)c1
InChIInChI=1S/C12H20N2O/c1-9-7-11(3)14-12(8-9)13-10(2)5-4-6-15/h7-8,10,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyVOYGTQRZGWBMGR-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
4,6-dimethyl-N-propan-2-ylpyridin-2-amine;molecular hydrogen
CID 145226134
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
CID 80852295
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol (CID 115976030) is 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol is Cc1cc(C)nc(NC(C)CCCO)c1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is VOYGTQRZGWBMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-7-11(3)14-12(8-9)13-10(2)5-4-6-15/h7-8,10,15H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol?
4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 115976030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).