2,3-ditert-butylhexanediamide

C14H28N2O2 — CID 174885270

IUPAC2,3-ditert-butylhexanediamide
SMILESCC(C)(C)C(CCC(N)=O)C(C(N)=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9(7-8-10(15)17)11(12(16)18)14(4,5)6/h9,11H,7-8H2,1-6H3,(H2,15,17)(H2,16,18)
InChIKeyYGBLTPAFUMWPQQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.06
Rot. Bonds5

About 2,3-ditert-butylhexanediamide

2,3-ditert-butylhexanediamide (PubChem CID 174885270) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,3-ditert-butylhexanediamide.

Molecular Properties

Compound Name2,3-ditert-butylhexanediamide
PubChem CID174885270
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,3-ditert-butylhexanediamide
SMILESCC(C)(C)C(CCC(N)=O)C(C(N)=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9(7-8-10(15)17)11(12(16)18)14(4,5)6/h9,11H,7-8H2,1-6H3,(H2,15,17)(H2,16,18)
InChIKeyYGBLTPAFUMWPQQ-UHFFFAOYSA-N
XLogP2.06
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-5,5-dimethylhexanamide
CID 171725194
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
(4S)-4-amino-5-methylhexanamide
CID 90463437
2-hydroxypentanediamide
CID 559184
(2S)-2-ethylpentanediamide
CID 146526357
butanamide
CID 141414886
2-bromo-3,3-dimethylbutanamide
CID 3015203
(2R)-2-tert-butylbutanediamide
CID 22864144
(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide
CID 102289117
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
2-(2-hydroxypropyl)pentanediamide
CID 23104492

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butylhexanediamide?
The IUPAC name of 2,3-ditert-butylhexanediamide (CID 174885270) is 2,3-ditert-butylhexanediamide.
What is the SMILES notation for 2,3-ditert-butylhexanediamide?
The canonical SMILES for 2,3-ditert-butylhexanediamide is CC(C)(C)C(CCC(N)=O)C(C(N)=O)C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylhexanediamide?
The InChIKey is YGBLTPAFUMWPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)9(7-8-10(15)17)11(12(16)18)14(4,5)6/h9,11H,7-8H2,1-6H3,(H2,15,17)(H2,16,18).
What are the key properties of 2,3-ditert-butylhexanediamide?
2,3-ditert-butylhexanediamide has a molecular weight of 256.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylhexanediamide is sourced from PubChem (CID 174885270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).