2-(diethylamino)-7-methyloctane-3,4-diol

C13H29NO2 — CID 71373825

IUPAC2-(diethylamino)-7-methyloctane-3,4-diol
SMILESCCN(CC)C(C)C(O)C(O)CCC(C)C
InChIInChI=1S/C13H29NO2/c1-6-14(7-2)11(5)13(16)12(15)9-8-10(3)4/h10-13,15-16H,6-9H2,1-5H3
InChIKeyZFPHSWPZKBQKSY-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.87
Rot. Bonds8

About 2-(diethylamino)-7-methyloctane-3,4-diol

2-(diethylamino)-7-methyloctane-3,4-diol (PubChem CID 71373825) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(diethylamino)-7-methyloctane-3,4-diol.

Molecular Properties

Compound Name2-(diethylamino)-7-methyloctane-3,4-diol
PubChem CID71373825
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-(diethylamino)-7-methyloctane-3,4-diol
SMILESCCN(CC)C(C)C(O)C(O)CCC(C)C
InChIInChI=1S/C13H29NO2/c1-6-14(7-2)11(5)13(16)12(15)9-8-10(3)4/h10-13,15-16H,6-9H2,1-5H3
InChIKeyZFPHSWPZKBQKSY-UHFFFAOYSA-N
XLogP1.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(diethylamino)pentan-3-ol
CID 131860305
6-methylheptane-2,3-diol
CID 57080591
(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
CID 139665627
2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol
CID 174435881
1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea
CID 112828668
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol
CID 88965637
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-methyloctane-3,4-diol?
The IUPAC name of 2-(diethylamino)-7-methyloctane-3,4-diol (CID 71373825) is 2-(diethylamino)-7-methyloctane-3,4-diol.
What is the SMILES notation for 2-(diethylamino)-7-methyloctane-3,4-diol?
The canonical SMILES for 2-(diethylamino)-7-methyloctane-3,4-diol is CCN(CC)C(C)C(O)C(O)CCC(C)C.
What is the InChIKey of 2-(diethylamino)-7-methyloctane-3,4-diol?
The InChIKey is ZFPHSWPZKBQKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-14(7-2)11(5)13(16)12(15)9-8-10(3)4/h10-13,15-16H,6-9H2,1-5H3.
What are the key properties of 2-(diethylamino)-7-methyloctane-3,4-diol?
2-(diethylamino)-7-methyloctane-3,4-diol has a molecular weight of 231.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-methyloctane-3,4-diol is sourced from PubChem (CID 71373825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).