3-[methyl(propan-2-yl)amino]hexan-2-ol

C10H23NO — CID 89003622

IUPAC3-[methyl(propan-2-yl)amino]hexan-2-ol
SMILESCCCC(C(C)O)N(C)C(C)C
InChIInChI=1S/C10H23NO/c1-6-7-10(9(4)12)11(5)8(2)3/h8-10,12H,6-7H2,1-5H3
InChIKeyIYGIPELMJIWTHW-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.88
Rot. Bonds5

About 3-[methyl(propan-2-yl)amino]hexan-2-ol

3-[methyl(propan-2-yl)amino]hexan-2-ol (PubChem CID 89003622) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]hexan-2-ol.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]hexan-2-ol
PubChem CID89003622
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-[methyl(propan-2-yl)amino]hexan-2-ol
SMILESCCCC(C(C)O)N(C)C(C)C
InChIInChI=1S/C10H23NO/c1-6-7-10(9(4)12)11(5)8(2)3/h8-10,12H,6-7H2,1-5H3
InChIKeyIYGIPELMJIWTHW-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
3-(dimethylamino)decan-2-ol
CID 87744632
hexane-2,3-diol
CID 159913798
3-[methyl(propan-2-yl)amino]butan-2-ol
CID 58823788
(2R)-3-methylhexan-2-ol
CID 88692749
(2R)-pentan-2-ol
CID 7014876
1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
CID 163257968
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
3-N,3-N-dimethylhexane-2,3-diamine
CID 116904410
2-N-methyl-4-N-pentan-2-yl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 166949020
N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine
CID 170048079
(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
CID 129044459

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]hexan-2-ol?
The IUPAC name of 3-[methyl(propan-2-yl)amino]hexan-2-ol (CID 89003622) is 3-[methyl(propan-2-yl)amino]hexan-2-ol.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]hexan-2-ol?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]hexan-2-ol is CCCC(C(C)O)N(C)C(C)C.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]hexan-2-ol?
The InChIKey is IYGIPELMJIWTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-7-10(9(4)12)11(5)8(2)3/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 3-[methyl(propan-2-yl)amino]hexan-2-ol?
3-[methyl(propan-2-yl)amino]hexan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]hexan-2-ol is sourced from PubChem (CID 89003622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).