2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol

C11H25NO — CID 107889072

IUPAC2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
SMILESCCCC(C)C(C)(O)CNC(C)C
InChIInChI=1S/C11H25NO/c1-6-7-10(4)11(5,13)8-12-9(2)3/h9-10,12-13H,6-8H2,1-5H3
InChIKeyYLDQXXUIIISDJX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds6

About 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol

2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol (PubChem CID 107889072) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
PubChem CID107889072
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
SMILESCCCC(C)C(C)(O)CNC(C)C
InChIInChI=1S/C11H25NO/c1-6-7-10(4)11(5,13)8-12-9(2)3/h9-10,12-13H,6-8H2,1-5H3
InChIKeyYLDQXXUIIISDJX-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
CID 115769996
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol
CID 114997202
2,3,5-trimethyloctan-2-ol
CID 123479971
2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 107897390
2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine
CID 63509497
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569
2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
CID 87601650
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol (CID 107889072) is 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol is CCCC(C)C(C)(O)CNC(C)C.
What is the InChIKey of 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol?
The InChIKey is YLDQXXUIIISDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-10(4)11(5,13)8-12-9(2)3/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol?
2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol is sourced from PubChem (CID 107889072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).