1-(ethylamino)-2,5,5-trimethylhexan-2-ol

C11H25NO — CID 66039846

IUPAC1-(ethylamino)-2,5,5-trimethylhexan-2-ol
SMILESCCNCC(C)(O)CCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-12-9-11(5,13)8-7-10(2,3)4/h12-13H,6-9H2,1-5H3
InChIKeyLICRLKWVXLEGMJ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds5

About 1-(ethylamino)-2,5,5-trimethylhexan-2-ol

1-(ethylamino)-2,5,5-trimethylhexan-2-ol (PubChem CID 66039846) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(ethylamino)-2,5,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-2,5,5-trimethylhexan-2-ol
PubChem CID66039846
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(ethylamino)-2,5,5-trimethylhexan-2-ol
SMILESCCNCC(C)(O)CCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-12-9-11(5,13)8-7-10(2,3)4/h12-13H,6-9H2,1-5H3
InChIKeyLICRLKWVXLEGMJ-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(ethylamino)-2,5,5-trimethylhexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol
CID 106734260
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
4,7,7-trimethyloctane-2,4-diol
CID 90823265
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 134313991
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335655
1-(ethylamino)-4-methyloctan-4-ol
CID 142623167

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2,5,5-trimethylhexan-2-ol?
The IUPAC name of 1-(ethylamino)-2,5,5-trimethylhexan-2-ol (CID 66039846) is 1-(ethylamino)-2,5,5-trimethylhexan-2-ol.
What is the SMILES notation for 1-(ethylamino)-2,5,5-trimethylhexan-2-ol?
The canonical SMILES for 1-(ethylamino)-2,5,5-trimethylhexan-2-ol is CCNCC(C)(O)CCC(C)(C)C.
What is the InChIKey of 1-(ethylamino)-2,5,5-trimethylhexan-2-ol?
The InChIKey is LICRLKWVXLEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-12-9-11(5,13)8-7-10(2,3)4/h12-13H,6-9H2,1-5H3.
What are the key properties of 1-(ethylamino)-2,5,5-trimethylhexan-2-ol?
1-(ethylamino)-2,5,5-trimethylhexan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 66039846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).