ethane;3-ethyl-N,5-dimethylhexanamide

C12H27NO — CID 177048526

IUPACethane;3-ethyl-N,5-dimethylhexanamide
SMILESCC.CCC(CC(=O)NC)CC(C)C
InChIInChI=1S/C10H21NO.C2H6/c1-5-9(6-8(2)3)7-10(12)11-4;1-2/h8-9H,5-7H2,1-4H3,(H,11,12);1-2H3
InChIKeyBNZRGSKLIFIZMA-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.22
Rot. Bonds5

About ethane;3-ethyl-N,5-dimethylhexanamide

ethane;3-ethyl-N,5-dimethylhexanamide (PubChem CID 177048526) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;3-ethyl-N,5-dimethylhexanamide.

Molecular Properties

Compound Nameethane;3-ethyl-N,5-dimethylhexanamide
PubChem CID177048526
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;3-ethyl-N,5-dimethylhexanamide
SMILESCC.CCC(CC(=O)NC)CC(C)C
InChIInChI=1S/C10H21NO.C2H6/c1-5-9(6-8(2)3)7-10(12)11-4;1-2/h8-9H,5-7H2,1-4H3,(H,11,12);1-2H3
InChIKeyBNZRGSKLIFIZMA-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-hydroxy-N,5-dimethylhexanamide;vanadium
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3-(2-methoxypropyl)-N,N'-dimethylpentanediamide
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N-methyl-3-(4-methylhexan-2-ylamino)butanamide
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3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 178004280
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
(2S)-2-[3-(aminomethyl)pentanoylamino]-4-methylpentanoic acid
CID 81087218
ethane;methanamine;N,3,3,5-tetramethylhexanamide
CID 177024213
carbonic acid;bis(3-ethyl-1-hydroperoxy-5-methylhexane)
CID 173414822
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
3-ethoxy-N-methylpentanamide
CID 123953806

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-N,5-dimethylhexanamide?
The IUPAC name of ethane;3-ethyl-N,5-dimethylhexanamide (CID 177048526) is ethane;3-ethyl-N,5-dimethylhexanamide.
What is the SMILES notation for ethane;3-ethyl-N,5-dimethylhexanamide?
The canonical SMILES for ethane;3-ethyl-N,5-dimethylhexanamide is CC.CCC(CC(=O)NC)CC(C)C.
What is the InChIKey of ethane;3-ethyl-N,5-dimethylhexanamide?
The InChIKey is BNZRGSKLIFIZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-5-9(6-8(2)3)7-10(12)11-4;1-2/h8-9H,5-7H2,1-4H3,(H,11,12);1-2H3.
What are the key properties of ethane;3-ethyl-N,5-dimethylhexanamide?
ethane;3-ethyl-N,5-dimethylhexanamide has a molecular weight of 201.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N,5-dimethylhexanamide is sourced from PubChem (CID 177048526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).