2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol

C14H24N2O2 — CID 106185999

IUPAC2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
SMILESCCCOc1cccnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C14H24N2O2/c1-6-10-18-11-8-7-9-15-12(11)16-13(2,3)14(4,5)17/h7-9,17H,6,10H2,1-5H3,(H,15,16)
InChIKeyWLLWWWMYWPMAOC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.83
Rot. Bonds6

About 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol

2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol (PubChem CID 106185999) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
PubChem CID106185999
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
SMILESCCCOc1cccnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C14H24N2O2/c1-6-10-18-11-8-7-9-15-12(11)16-13(2,3)14(4,5)17/h7-9,17H,6,10H2,1-5H3,(H,15,16)
InChIKeyWLLWWWMYWPMAOC-UHFFFAOYSA-N
XLogP2.83
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185813
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
CID 107159121
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-propoxypyridin-2-amine
CID 105419140
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934
2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 114010653

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol (CID 106185999) is 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol is CCCOc1cccnc1NC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol?
The InChIKey is WLLWWWMYWPMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-10-18-11-8-7-9-15-12(11)16-13(2,3)14(4,5)17/h7-9,17H,6,10H2,1-5H3,(H,15,16).
What are the key properties of 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol?
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 106185999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).