4,5-dimethyl-2-(methylamino)heptan-3-ol

C10H23NO — CID 20658867

IUPAC4,5-dimethyl-2-(methylamino)heptan-3-ol
SMILESCCC(C)C(C)C(O)C(C)NC
InChIInChI=1S/C10H23NO/c1-6-7(2)8(3)10(12)9(4)11-5/h7-12H,6H2,1-5H3
InChIKeyMLXUECOXPNIULS-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.64
Rot. Bonds5

About 4,5-dimethyl-2-(methylamino)heptan-3-ol

4,5-dimethyl-2-(methylamino)heptan-3-ol (PubChem CID 20658867) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4,5-dimethyl-2-(methylamino)heptan-3-ol.

Molecular Properties

Compound Name4,5-dimethyl-2-(methylamino)heptan-3-ol
PubChem CID20658867
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4,5-dimethyl-2-(methylamino)heptan-3-ol
SMILESCCC(C)C(C)C(O)C(C)NC
InChIInChI=1S/C10H23NO/c1-6-7(2)8(3)10(12)9(4)11-5/h7-12H,6H2,1-5H3
InChIKeyMLXUECOXPNIULS-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89518
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CID 3151936
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
6-Ethyl-5-(fluoromethyl)piperidin-3-ol
CID 126716122
(3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol
CID 135264751
2-Cyclohexyl-2-(methylamino)ethanol
CID 278542
(1R)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 11217316
2-Methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol
CID 12032217
(s)-N-dodecyl leucinol
CID 129847200
(3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol
CID 135009947
1-((6-Aminotrimethylhexyl)amino)propan-2-ol
CID 3023051

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(methylamino)heptan-3-ol?
The IUPAC name of 4,5-dimethyl-2-(methylamino)heptan-3-ol (CID 20658867) is 4,5-dimethyl-2-(methylamino)heptan-3-ol.
What is the SMILES notation for 4,5-dimethyl-2-(methylamino)heptan-3-ol?
The canonical SMILES for 4,5-dimethyl-2-(methylamino)heptan-3-ol is CCC(C)C(C)C(O)C(C)NC.
What is the InChIKey of 4,5-dimethyl-2-(methylamino)heptan-3-ol?
The InChIKey is MLXUECOXPNIULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-7(2)8(3)10(12)9(4)11-5/h7-12H,6H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-(methylamino)heptan-3-ol?
4,5-dimethyl-2-(methylamino)heptan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(methylamino)heptan-3-ol is sourced from PubChem (CID 20658867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).