6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide

C11H24N2O4 — CID 107852731

IUPAC6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide
SMILESCC(CCN)CCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H24N2O4/c1-9(4-5-12)2-3-10(17)13-11(6-14,7-15)8-16/h9,14-16H,2-8,12H2,1H3,(H,13,17)
InChIKeyFIIJYMUEUXYUKN-UHFFFAOYSA-N
MW248.32 g/mol
LogP-1.42
Rot. Bonds9

About 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide

6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide (PubChem CID 107852731) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide
PubChem CID107852731
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide
SMILESCC(CCN)CCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H24N2O4/c1-9(4-5-12)2-3-10(17)13-11(6-14,7-15)8-16/h9,14-16H,2-8,12H2,1H3,(H,13,17)
InChIKeyFIIJYMUEUXYUKN-UHFFFAOYSA-N
XLogP-1.42
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107852756
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
6-amino-4-methyl-N-(2,2,3-trimethylbutyl)hexanamide
CID 114100113
6-amino-N-[(1R)-1-cyclopentylethyl]-4-methylhexanamide
CID 81390503
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
9-amino-7-methylnonan-4-one
CID 116581538
6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
CID 107865762
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide?
The IUPAC name of 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide (CID 107852731) is 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide?
The canonical SMILES for 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide is CC(CCN)CCC(=O)NC(CO)(CO)CO.
What is the InChIKey of 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide?
The InChIKey is FIIJYMUEUXYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-9(4-5-12)2-3-10(17)13-11(6-14,7-15)8-16/h9,14-16H,2-8,12H2,1H3,(H,13,17).
What are the key properties of 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide?
6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide has a molecular weight of 248.32 g/mol, XLogP of -1.42, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylhexanamide is sourced from PubChem (CID 107852731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).