N-(azepan-4-yl)-N,2,3-trimethylbutanamide

C13H26N2O — CID 104974580

IUPACN-(azepan-4-yl)-N,2,3-trimethylbutanamide
SMILESCC(C)C(C)C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C13H26N2O/c1-10(2)11(3)13(16)15(4)12-6-5-8-14-9-7-12/h10-12,14H,5-9H2,1-4H3
InChIKeyZKYKVPGCNMSEHG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds3

About N-(azepan-4-yl)-N,2,3-trimethylbutanamide

N-(azepan-4-yl)-N,2,3-trimethylbutanamide (PubChem CID 104974580) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,2,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,2,3-trimethylbutanamide
PubChem CID104974580
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(azepan-4-yl)-N,2,3-trimethylbutanamide
SMILESCC(C)C(C)C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C13H26N2O/c1-10(2)11(3)13(16)15(4)12-6-5-8-14-9-7-12/h10-12,14H,5-9H2,1-4H3
InChIKeyZKYKVPGCNMSEHG-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 104974731
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-methyl-N-piperidin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 81480295
N-(azepan-4-yl)-N-methylthiolane-2-carboxamide
CID 104974581
1-(azepan-4-yl)-3-(4-cyanophenyl)-1-methylurea
CID 107172674
2-bromo-N-cyclopentyl-N,3-dimethylbutanamide
CID 43267096
N,2-dimethyl-N-piperidin-3-ylpentanamide
CID 60806895
2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 119443872

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,2,3-trimethylbutanamide?
The IUPAC name of N-(azepan-4-yl)-N,2,3-trimethylbutanamide (CID 104974580) is N-(azepan-4-yl)-N,2,3-trimethylbutanamide.
What is the SMILES notation for N-(azepan-4-yl)-N,2,3-trimethylbutanamide?
The canonical SMILES for N-(azepan-4-yl)-N,2,3-trimethylbutanamide is CC(C)C(C)C(=O)N(C)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N,2,3-trimethylbutanamide?
The InChIKey is ZKYKVPGCNMSEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)11(3)13(16)15(4)12-6-5-8-14-9-7-12/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-(azepan-4-yl)-N,2,3-trimethylbutanamide?
N-(azepan-4-yl)-N,2,3-trimethylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N,2,3-trimethylbutanamide is sourced from PubChem (CID 104974580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).