(2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol

C14H30N2O3 — CID 165163189

IUPAC(2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol
SMILESCC(C)[C@@H]1OC(C(O)CN(C)C)CC(N(C)C)C1O
InChIInChI=1S/C14H30N2O3/c1-9(2)14-13(18)10(16(5)6)7-12(19-14)11(17)8-15(3)4/h9-14,17-18H,7-8H2,1-6H3/t10?,11?,12?,13?,14-/m0/s1
InChIKeyQIMMWSPTCTYYHY-JVUSGKFHSA-N
MW274.41 g/mol
LogP0.01
Rot. Bonds5

About (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol

(2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol (PubChem CID 165163189) has the molecular formula C14H30N2O3 and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name(2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol
PubChem CID165163189
Molecular FormulaC14H30N2O3
Molecular Weight274.41 g/mol
Exact Mass274.23
IUPAC Name(2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol
SMILESCC(C)[C@@H]1OC(C(O)CN(C)C)CC(N(C)C)C1O
InChIInChI=1S/C14H30N2O3/c1-9(2)14-13(18)10(16(5)6)7-12(19-14)11(17)8-15(3)4/h9-14,17-18H,7-8H2,1-6H3/t10?,11?,12?,13?,14-/m0/s1
InChIKeyQIMMWSPTCTYYHY-JVUSGKFHSA-N
XLogP0.01
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
CID 130438261
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743
4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965
[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol
CID 88887587
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol?
The IUPAC name of (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol (CID 165163189) is (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol.
What is the SMILES notation for (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol?
The canonical SMILES for (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol is CC(C)[C@@H]1OC(C(O)CN(C)C)CC(N(C)C)C1O.
What is the InChIKey of (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol?
The InChIKey is QIMMWSPTCTYYHY-JVUSGKFHSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-9(2)14-13(18)10(16(5)6)7-12(19-14)11(17)8-15(3)4/h9-14,17-18H,7-8H2,1-6H3/t10?,11?,12?,13?,14-/m0/s1.
What are the key properties of (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol?
(2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol has a molecular weight of 274.41 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol is sourced from PubChem (CID 165163189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).