(3S)-3-amino-4-ethyl-4-methyloctan-2-ol

C11H25NO — CID 88936952

IUPAC(3S)-3-amino-4-ethyl-4-methyloctan-2-ol
SMILESCCCCC(C)(CC)[C@H](N)C(C)O
InChIInChI=1S/C11H25NO/c1-5-7-8-11(4,6-2)10(12)9(3)13/h9-10,13H,5-8,12H2,1-4H3/t9?,10-,11?/m1/s1
InChIKeyYSHUFAXEMBCUHI-HSOILSAZSA-N
MW187.33 g/mol
LogP2.30
Rot. Bonds6

About (3S)-3-amino-4-ethyl-4-methyloctan-2-ol

(3S)-3-amino-4-ethyl-4-methyloctan-2-ol (PubChem CID 88936952) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (3S)-3-amino-4-ethyl-4-methyloctan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-4-ethyl-4-methyloctan-2-ol
PubChem CID88936952
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(3S)-3-amino-4-ethyl-4-methyloctan-2-ol
SMILESCCCCC(C)(CC)[C@H](N)C(C)O
InChIInChI=1S/C11H25NO/c1-5-7-8-11(4,6-2)10(12)9(3)13/h9-10,13H,5-8,12H2,1-4H3/t9?,10-,11?/m1/s1
InChIKeyYSHUFAXEMBCUHI-HSOILSAZSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diamino-2-ethyl-2-methylpentan-1-ol
CID 87944830
3-methyl-3-propyloctan-2-ol
CID 20501793
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
6-tert-butyl-2-ethyl-2-methylnonane-1,1-diol
CID 122674638
(1R,2R)-3-butyl-2,3-dimethyl-1-propan-2-yloxyheptan-1-ol
CID 131976897
5-butan-2-yl-5-methylnonan-3-ol
CID 91506526
2-butyl-2-methylpentane-1,3-diol
CID 14742514
3-ethyl-3,5-dimethylnonan-4-ol
CID 156689817
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
6-methyl-6-propan-2-ylundecane
CID 87930599
6-ethyl-2,6,7-trimethyldecane
CID 123269799

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-ethyl-4-methyloctan-2-ol?
The IUPAC name of (3S)-3-amino-4-ethyl-4-methyloctan-2-ol (CID 88936952) is (3S)-3-amino-4-ethyl-4-methyloctan-2-ol.
What is the SMILES notation for (3S)-3-amino-4-ethyl-4-methyloctan-2-ol?
The canonical SMILES for (3S)-3-amino-4-ethyl-4-methyloctan-2-ol is CCCCC(C)(CC)[C@H](N)C(C)O.
What is the InChIKey of (3S)-3-amino-4-ethyl-4-methyloctan-2-ol?
The InChIKey is YSHUFAXEMBCUHI-HSOILSAZSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-7-8-11(4,6-2)10(12)9(3)13/h9-10,13H,5-8,12H2,1-4H3/t9?,10-,11?/m1/s1.
What are the key properties of (3S)-3-amino-4-ethyl-4-methyloctan-2-ol?
(3S)-3-amino-4-ethyl-4-methyloctan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-ethyl-4-methyloctan-2-ol is sourced from PubChem (CID 88936952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).