N,N-diethyl-3,5,5-trimethylhexanamide

C13H27NO — CID 88772033

IUPACN,N-diethyl-3,5,5-trimethylhexanamide
SMILESCCN(CC)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-14(8-2)12(15)9-11(3)10-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyCCLQXUKDUFZQCC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.32
Rot. Bonds5

About N,N-diethyl-3,5,5-trimethylhexanamide

N,N-diethyl-3,5,5-trimethylhexanamide (PubChem CID 88772033) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N-diethyl-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN,N-diethyl-3,5,5-trimethylhexanamide
PubChem CID88772033
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N-diethyl-3,5,5-trimethylhexanamide
SMILESCCN(CC)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-14(8-2)12(15)9-11(3)10-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyCCLQXUKDUFZQCC-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5,5-trimethylhexanamide?
The IUPAC name of N,N-diethyl-3,5,5-trimethylhexanamide (CID 88772033) is N,N-diethyl-3,5,5-trimethylhexanamide.
What is the SMILES notation for N,N-diethyl-3,5,5-trimethylhexanamide?
The canonical SMILES for N,N-diethyl-3,5,5-trimethylhexanamide is CCN(CC)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N,N-diethyl-3,5,5-trimethylhexanamide?
The InChIKey is CCLQXUKDUFZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-14(8-2)12(15)9-11(3)10-13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of N,N-diethyl-3,5,5-trimethylhexanamide?
N,N-diethyl-3,5,5-trimethylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5,5-trimethylhexanamide is sourced from PubChem (CID 88772033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).