6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide

C13H28N2O3 — CID 107865762

IUPAC6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
SMILESCCC(CO)(CO)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H28N2O3/c1-4-13(9-16,10-17)15-11(18)5-6-12(2,3)7-8-14/h16-17H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyMEJBZIGCHSWQAR-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.39
Rot. Bonds9

About 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide

6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide (PubChem CID 107865762) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
PubChem CID107865762
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
SMILESCCC(CO)(CO)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H28N2O3/c1-4-13(9-16,10-17)15-11(18)5-6-12(2,3)7-8-14/h16-17H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyMEJBZIGCHSWQAR-UHFFFAOYSA-N
XLogP0.39
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid
CID 79803621
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
ethyl 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-4-oxobutanoate
CID 104630271
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107222403
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107221314
4-amino-2,2-dimethylbutan-1-ol
CID 55253832
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104630084
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide (CID 107865762) is 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide is CCC(CO)(CO)NC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide?
The InChIKey is MEJBZIGCHSWQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-4-13(9-16,10-17)15-11(18)5-6-12(2,3)7-8-14/h16-17H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide?
6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide has a molecular weight of 260.38 g/mol, XLogP of 0.39, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide is sourced from PubChem (CID 107865762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).