(3R)-6-(diethylamino)-3-ethylhexan-1-ol

C12H27NO — CID 118889911

IUPAC(3R)-6-(diethylamino)-3-ethylhexan-1-ol
SMILESCC[C@@H](CCO)CCCN(CC)CC
InChIInChI=1S/C12H27NO/c1-4-12(9-11-14)8-7-10-13(5-2)6-3/h12,14H,4-11H2,1-3H3/t12-/m1/s1
InChIKeySYWZPFSYBDXQNA-GFCCVEGCSA-N
MW201.35 g/mol
LogP2.52
Rot. Bonds9

About (3R)-6-(diethylamino)-3-ethylhexan-1-ol

(3R)-6-(diethylamino)-3-ethylhexan-1-ol (PubChem CID 118889911) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (3R)-6-(diethylamino)-3-ethylhexan-1-ol.

Molecular Properties

Compound Name(3R)-6-(diethylamino)-3-ethylhexan-1-ol
PubChem CID118889911
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(3R)-6-(diethylamino)-3-ethylhexan-1-ol
SMILESCC[C@@H](CCO)CCCN(CC)CC
InChIInChI=1S/C12H27NO/c1-4-12(9-11-14)8-7-10-13(5-2)6-3/h12,14H,4-11H2,1-3H3/t12-/m1/s1
InChIKeySYWZPFSYBDXQNA-GFCCVEGCSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
3-[3-(diethylamino)propyl]pentadecan-1-ol
CID 118181955
(3R)-3-ethyl-6-[ethyl(methyl)amino]hexan-1-ol
CID 118890243
N',N',2-triethyl-N-methylpentane-1,5-diamine
CID 142375045
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
CID 102994441
(3R)-3-ethylhexane-1,6-diol
CID 118889856
3,6-diethylnonane-1,9-diol
CID 19787583
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
(3S)-3-ethyloctane-1,8-diol
CID 118889766
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
(2R)-2-amino-5-(diethylamino)pentan-1-ol
CID 131859240
(2S)-7-(diethylamino)-2-propylheptan-1-ol
CID 118889803

Frequently Asked Questions

What is the IUPAC name of (3R)-6-(diethylamino)-3-ethylhexan-1-ol?
The IUPAC name of (3R)-6-(diethylamino)-3-ethylhexan-1-ol (CID 118889911) is (3R)-6-(diethylamino)-3-ethylhexan-1-ol.
What is the SMILES notation for (3R)-6-(diethylamino)-3-ethylhexan-1-ol?
The canonical SMILES for (3R)-6-(diethylamino)-3-ethylhexan-1-ol is CC[C@@H](CCO)CCCN(CC)CC.
What is the InChIKey of (3R)-6-(diethylamino)-3-ethylhexan-1-ol?
The InChIKey is SYWZPFSYBDXQNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-12(9-11-14)8-7-10-13(5-2)6-3/h12,14H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-6-(diethylamino)-3-ethylhexan-1-ol?
(3R)-6-(diethylamino)-3-ethylhexan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(diethylamino)-3-ethylhexan-1-ol is sourced from PubChem (CID 118889911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).