4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol

C16H33NO2 — CID 79060808

IUPAC4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCN(CC)C(CC)(CC)C(O)CCC1CCCO1
InChIInChI=1S/C16H33NO2/c1-5-16(6-2,17(7-3)8-4)15(18)12-11-14-10-9-13-19-14/h14-15,18H,5-13H2,1-4H3
InChIKeyRTGLPOCCNIVNAT-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.21
Rot. Bonds9

About 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol

4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol (PubChem CID 79060808) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol
PubChem CID79060808
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCN(CC)C(CC)(CC)C(O)CCC1CCCO1
InChIInChI=1S/C16H33NO2/c1-5-16(6-2,17(7-3)8-4)15(18)12-11-14-10-9-13-19-14/h14-15,18H,5-13H2,1-4H3
InChIKeyRTGLPOCCNIVNAT-UHFFFAOYSA-N
XLogP3.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 79064624
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 116713726
4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79047027
4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine
CID 79069373
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
4-(azepan-1-yl)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79051804
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol (CID 79060808) is 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol is CCN(CC)C(CC)(CC)C(O)CCC1CCCO1.
What is the InChIKey of 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol?
The InChIKey is RTGLPOCCNIVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-16(6-2,17(7-3)8-4)15(18)12-11-14-10-9-13-19-14/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol?
4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol has a molecular weight of 271.44 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 79060808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).