ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol

C12H24N2O — CID 142345182

IUPACethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol
SMILESCC.CC1=CNCC(NCC(C)(C)O)=C1
InChIInChI=1S/C10H18N2O.C2H6/c1-8-4-9(6-11-5-8)12-7-10(2,3)13;1-2/h4-5,11-13H,6-7H2,1-3H3;1-2H3
InChIKeyIYLSLTMXLKNDNU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds3

About ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol

ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol (PubChem CID 142345182) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol
PubChem CID142345182
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nameethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol
SMILESCC.CC1=CNCC(NCC(C)(C)O)=C1
InChIInChI=1S/C10H18N2O.C2H6/c1-8-4-9(6-11-5-8)12-7-10(2,3)13;1-2/h4-5,11-13H,6-7H2,1-3H3;1-2H3
InChIKeyIYLSLTMXLKNDNU-UHFFFAOYSA-N
XLogP1.76
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-2-butyl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol
CID 22172669
2-[2-[(4,6-Dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol
CID 134406736
1-[(1,5-dimethyl-2H-pyridin-3-yl)amino]-2-methylpropan-2-ol;ethane
CID 142345337
2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol
CID 143325960
2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol
CID 143326001
ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840241
triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
CID 146259255
3-[[(4Z,6Z)-3-methylideneocta-1,4,6-trien-2-yl]amino]prop-1-en-2-ol
CID 169612208
1-(Cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol
CID 175763250
2-Methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol
CID 142345183
1-[(1,5-dimethyl-2H-pyridin-3-yl)amino]-2-methylpropan-2-ol
CID 142345338
(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840242

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol?
The IUPAC name of ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol (CID 142345182) is ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol.
What is the SMILES notation for ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol?
The canonical SMILES for ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol is CC.CC1=CNCC(NCC(C)(C)O)=C1.
What is the InChIKey of ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol?
The InChIKey is IYLSLTMXLKNDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-8-4-9(6-11-5-8)12-7-10(2,3)13;1-2/h4-5,11-13H,6-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol?
ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 142345182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).