1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol

C13H22N2O2 — CID 107874714

IUPAC1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)10-5-6-12(14-7-10)15-8-11(16)9-17-4/h5-7,11,16H,8-9H2,1-4H3,(H,14,15)
InChIKeyPEXLWFDBNNYUBO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds5

About 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol

1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol (PubChem CID 107874714) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
PubChem CID107874714
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)10-5-6-12(14-7-10)15-8-11(16)9-17-4/h5-7,11,16H,8-9H2,1-4H3,(H,14,15)
InChIKeyPEXLWFDBNNYUBO-UHFFFAOYSA-N
XLogP1.80
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
5-tert-butyl-N-(2-phenylpropyl)pyridin-2-amine
CID 107874865
1-[(5-amino-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79176154
1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153195
5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
CID 107875580
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
CID 107875694
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80834963
N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 114011649
1-[(5-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 104696792
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol (CID 107874714) is 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The InChIKey is PEXLWFDBNNYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)10-5-6-12(14-7-10)15-8-11(16)9-17-4/h5-7,11,16H,8-9H2,1-4H3,(H,14,15).
What are the key properties of 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 107874714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).