N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide

C13H26N2O — CID 116656144

IUPACN-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
SMILESCCC(C)(C)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-5-13(2,3)14(4)12(16)15-10-8-6-7-9-11-15/h5-11H2,1-4H3
InChIKeyKWQKABCUCOQANK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.10
Rot. Bonds2

About N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide

N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide (PubChem CID 116656144) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
PubChem CID116656144
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
SMILESCCC(C)(C)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-5-13(2,3)14(4)12(16)15-10-8-6-7-9-11-15/h5-11H2,1-4H3
InChIKeyKWQKABCUCOQANK-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide
CID 79155532
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383054
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one
CID 113476280
N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate
CID 68765556
2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
CID 79256503
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide
CID 79652128

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide (CID 116656144) is N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide is CCC(C)(C)N(C)C(=O)N1CCCCCC1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide?
The InChIKey is KWQKABCUCOQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(2,3)14(4)12(16)15-10-8-6-7-9-11-15/h5-11H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide?
N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 116656144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).