6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide

C15H30N2O2 — CID 102861723

IUPAC6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H30N2O2/c1-15(2,9-10-16)8-7-14(19)17(11-4-12-18)13-5-3-6-13/h13,18H,3-12,16H2,1-2H3
InChIKeySXHHREBMAYLJST-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.91
Rot. Bonds9

About 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide

6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide (PubChem CID 102861723) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide
PubChem CID102861723
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H30N2O2/c1-15(2,9-10-16)8-7-14(19)17(11-4-12-18)13-5-3-6-13/h13,18H,3-12,16H2,1-2H3
InChIKeySXHHREBMAYLJST-UHFFFAOYSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide (CID 102861723) is 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)N(CCCO)C1CCC1.
What is the InChIKey of 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide?
The InChIKey is SXHHREBMAYLJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,9-10-16)8-7-14(19)17(11-4-12-18)13-5-3-6-13/h13,18H,3-12,16H2,1-2H3.
What are the key properties of 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide?
6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide has a molecular weight of 270.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 102861723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).