6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide

C17H35N3O — CID 65281853

IUPAC6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCN1CCCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C17H35N3O/c1-5-19-17(4,15(18)21)10-6-7-12-20-13-8-9-16(2,3)11-14-20/h19H,5-14H2,1-4H3,(H2,18,21)
InChIKeyZHFFMXQXPHZZFN-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds8

About 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide

6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide (PubChem CID 65281853) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide.

Molecular Properties

Compound Name6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
PubChem CID65281853
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCN1CCCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C17H35N3O/c1-5-19-17(4,15(18)21)10-6-7-12-20-13-8-9-16(2,3)11-14-20/h19H,5-14H2,1-4H3,(H2,18,21)
InChIKeyZHFFMXQXPHZZFN-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 65281752
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 63217659
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanamide
CID 79917010
4,4-dimethyl-1-pentylazepane
CID 18723213
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide?
The IUPAC name of 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide (CID 65281853) is 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide.
What is the SMILES notation for 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide?
The canonical SMILES for 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide is CCNC(C)(CCCCN1CCCC(C)(C)CC1)C(N)=O.
What is the InChIKey of 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide?
The InChIKey is ZHFFMXQXPHZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-19-17(4,15(18)21)10-6-7-12-20-13-8-9-16(2,3)11-14-20/h19H,5-14H2,1-4H3,(H2,18,21).
What are the key properties of 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide?
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide is sourced from PubChem (CID 65281853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).