N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide

C12H22N2O — CID 116657967

IUPACN-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
SMILESC=C(C)CN(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c1-11(2)10-13(3)12(15)14-8-6-4-5-7-9-14/h1,4-10H2,2-3H3
InChIKeyIKHYQACQLUMTJV-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.49
Rot. Bonds2

About N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide

N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide (PubChem CID 116657967) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
PubChem CID116657967
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
SMILESC=C(C)CN(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c1-11(2)10-13(3)12(15)14-8-6-4-5-7-9-14/h1,4-10H2,2-3H3
InChIKeyIKHYQACQLUMTJV-UHFFFAOYSA-N
XLogP2.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
CID 79152042
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
CID 79162050
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
CID 106441576
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide (CID 116657967) is N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide is C=C(C)CN(C)C(=O)N1CCCCCC1.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide?
The InChIKey is IKHYQACQLUMTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)10-13(3)12(15)14-8-6-4-5-7-9-14/h1,4-10H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide?
N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.49, 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-methylprop-2-enyl)azepane-1-carboxamide is sourced from PubChem (CID 116657967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).