dimethylamino(oxan-4-yl)methanol

C8H17NO2 — CID 116909646

IUPACdimethylamino(oxan-4-yl)methanol
SMILESCN(C)C(O)C1CCOCC1
InChIInChI=1S/C8H17NO2/c1-9(2)8(10)7-3-5-11-6-4-7/h7-8,10H,3-6H2,1-2H3
InChIKeyMOYWAGSLXDWHMB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.29
Rot. Bonds2

About dimethylamino(oxan-4-yl)methanol

dimethylamino(oxan-4-yl)methanol (PubChem CID 116909646) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is dimethylamino(oxan-4-yl)methanol.

Molecular Properties

Compound Namedimethylamino(oxan-4-yl)methanol
PubChem CID116909646
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namedimethylamino(oxan-4-yl)methanol
SMILESCN(C)C(O)C1CCOCC1
InChIInChI=1S/C8H17NO2/c1-9(2)8(10)7-3-5-11-6-4-7/h7-8,10H,3-6H2,1-2H3
InChIKeyMOYWAGSLXDWHMB-UHFFFAOYSA-N
XLogP0.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl(oxan-4-yl)methanol
CID 63936668
2-chloro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
CID 116907498
3-(dimethylamino)-3-(oxan-4-yl)propanoic acid
CID 64528543
1-amino-2-(oxan-4-yl)propan-1-ol
CID 88974259
2-methyl-1-(oxan-4-yl)prop-2-en-1-ol
CID 79189800
2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol
CID 79064392
1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
CID 79087400
methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
CID 116910252
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
CID 158111671
oxan-4-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115797718
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116904749

Frequently Asked Questions

What is the IUPAC name of dimethylamino(oxan-4-yl)methanol?
The IUPAC name of dimethylamino(oxan-4-yl)methanol (CID 116909646) is dimethylamino(oxan-4-yl)methanol.
What is the SMILES notation for dimethylamino(oxan-4-yl)methanol?
The canonical SMILES for dimethylamino(oxan-4-yl)methanol is CN(C)C(O)C1CCOCC1.
What is the InChIKey of dimethylamino(oxan-4-yl)methanol?
The InChIKey is MOYWAGSLXDWHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9(2)8(10)7-3-5-11-6-4-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of dimethylamino(oxan-4-yl)methanol?
dimethylamino(oxan-4-yl)methanol has a molecular weight of 159.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(oxan-4-yl)methanol is sourced from PubChem (CID 116909646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).