2-(2-hydroxybutylamino)-4-methylpentan-1-ol

C10H23NO2 — CID 61245406

IUPAC2-(2-hydroxybutylamino)-4-methylpentan-1-ol
SMILESCCC(O)CNC(CO)CC(C)C
InChIInChI=1S/C10H23NO2/c1-4-10(13)6-11-9(7-12)5-8(2)3/h8-13H,4-7H2,1-3H3
InChIKeyLYMXLXVVEDYTRS-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.75
Rot. Bonds7

About 2-(2-hydroxybutylamino)-4-methylpentan-1-ol

2-(2-hydroxybutylamino)-4-methylpentan-1-ol (PubChem CID 61245406) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(2-hydroxybutylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxybutylamino)-4-methylpentan-1-ol
PubChem CID61245406
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(2-hydroxybutylamino)-4-methylpentan-1-ol
SMILESCCC(O)CNC(CO)CC(C)C
InChIInChI=1S/C10H23NO2/c1-4-10(13)6-11-9(7-12)5-8(2)3/h8-13H,4-7H2,1-3H3
InChIKeyLYMXLXVVEDYTRS-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(2-hydroxybutylamino)-4-methylpentan-1-ol (CID 61245406) is 2-(2-hydroxybutylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(2-hydroxybutylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(2-hydroxybutylamino)-4-methylpentan-1-ol is CCC(O)CNC(CO)CC(C)C.
What is the InChIKey of 2-(2-hydroxybutylamino)-4-methylpentan-1-ol?
The InChIKey is LYMXLXVVEDYTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-10(13)6-11-9(7-12)5-8(2)3/h8-13H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxybutylamino)-4-methylpentan-1-ol?
2-(2-hydroxybutylamino)-4-methylpentan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 61245406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).