(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol

C8H15NO2 — CID 159039931

IUPAC(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol
SMILESC=C1C[C@H](N(C)C)CC(O)O1
InChIInChI=1S/C8H15NO2/c1-6-4-7(9(2)3)5-8(10)11-6/h7-8,10H,1,4-5H2,2-3H3/t7-,8?/m0/s1
InChIKeyJVXRSFDQIMHFLL-JAMMHHFISA-N
MW157.21 g/mol
LogP0.56
Rot. Bonds1

About (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol

(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol (PubChem CID 159039931) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol
PubChem CID159039931
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol
SMILESC=C1C[C@H](N(C)C)CC(O)O1
InChIInChI=1S/C8H15NO2/c1-6-4-7(9(2)3)5-8(10)11-6/h7-8,10H,1,4-5H2,2-3H3/t7-,8?/m0/s1
InChIKeyJVXRSFDQIMHFLL-JAMMHHFISA-N
XLogP0.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine
CID 90834219
(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol
CID 143853511
(3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine
CID 162388649
N,N-dimethyloxetan-3-amine;ethane
CID 142330300
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol
CID 143476132
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
CID 91701319
(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol
CID 134491150
2-methoxy-5-methylideneoxolan-3-amine
CID 59957210
[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid
CID 143853528
5-hydroxy-3-methyloxolan-2-one
CID 12794198
4-(dimethylamino)cyclohexan-1-ol;vanadium
CID 176696741
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol?
The IUPAC name of (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol (CID 159039931) is (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol.
What is the SMILES notation for (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol?
The canonical SMILES for (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol is C=C1C[C@H](N(C)C)CC(O)O1.
What is the InChIKey of (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol?
The InChIKey is JVXRSFDQIMHFLL-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-7(9(2)3)5-8(10)11-6/h7-8,10H,1,4-5H2,2-3H3/t7-,8?/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol?
(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol has a molecular weight of 157.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-6-methylideneoxan-2-ol is sourced from PubChem (CID 159039931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).