3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide

C13H28N2O2 — CID 113499567

IUPAC3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide
SMILESCC(O)CCN(C)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(16)6-7-15(5)12(17)8-11(14)9-13(2,3)4/h10-11,16H,6-9,14H2,1-5H3
InChIKeyGFIAHOIDEMLQIB-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide

3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide (PubChem CID 113499567) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide
PubChem CID113499567
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide
SMILESCC(O)CCN(C)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(16)6-7-15(5)12(17)8-11(14)9-13(2,3)4/h10-11,16H,6-9,14H2,1-5H3
InChIKeyGFIAHOIDEMLQIB-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide
CID 106441524
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115691770
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide
CID 111695608
3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
CID 113497026
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183
3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
CID 113496982
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide
CID 113497065
3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 113496977
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 63833793

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide?
The IUPAC name of 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide (CID 113499567) is 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide.
What is the SMILES notation for 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide?
The canonical SMILES for 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide is CC(O)CCN(C)C(=O)CC(N)CC(C)(C)C.
What is the InChIKey of 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide?
The InChIKey is GFIAHOIDEMLQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(16)6-7-15(5)12(17)8-11(14)9-13(2,3)4/h10-11,16H,6-9,14H2,1-5H3.
What are the key properties of 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide?
3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide is sourced from PubChem (CID 113499567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).