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

C15H31NO2 — CID 79064624

IUPAC4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCN(CC)C(C)(CC)C(O)CCC1CCCO1
InChIInChI=1S/C15H31NO2/c1-5-15(4,16(6-2)7-3)14(17)11-10-13-9-8-12-18-13/h13-14,17H,5-12H2,1-4H3
InChIKeyCUYYVKVSGKJTKE-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.82
Rot. Bonds8

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

4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol (PubChem CID 79064624) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
PubChem CID79064624
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCN(CC)C(C)(CC)C(O)CCC1CCCO1
InChIInChI=1S/C15H31NO2/c1-5-15(4,16(6-2)7-3)14(17)11-10-13-9-8-12-18-13/h13-14,17H,5-12H2,1-4H3
InChIKeyCUYYVKVSGKJTKE-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol
CID 79060808
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine
CID 79069373
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
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
4-(azepan-1-yl)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79051804
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 116752270
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol (CID 79064624) is 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol is CCN(CC)C(C)(CC)C(O)CCC1CCCO1.
What is the InChIKey of 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol?
The InChIKey is CUYYVKVSGKJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-15(4,16(6-2)7-3)14(17)11-10-13-9-8-12-18-13/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol?
4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol has a molecular weight of 257.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 79064624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).