4-tert-butyl-N-methylazepane-1-carboxamide

C12H24N2O — CID 115631035

IUPAC4-tert-butyl-N-methylazepane-1-carboxamide
SMILESCNC(=O)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10-6-5-8-14(9-7-10)11(15)13-4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyFIIIDHBECYMAFB-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds

About 4-tert-butyl-N-methylazepane-1-carboxamide

4-tert-butyl-N-methylazepane-1-carboxamide (PubChem CID 115631035) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-tert-butyl-N-methylazepane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methylazepane-1-carboxamide
PubChem CID115631035
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-tert-butyl-N-methylazepane-1-carboxamide
SMILESCNC(=O)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10-6-5-8-14(9-7-10)11(15)13-4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyFIIIDHBECYMAFB-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methylazepane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-methylazepane-1-carboxamide (CID 115631035) is 4-tert-butyl-N-methylazepane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methylazepane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methylazepane-1-carboxamide is CNC(=O)N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methylazepane-1-carboxamide?
The InChIKey is FIIIDHBECYMAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)10-6-5-8-14(9-7-10)11(15)13-4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 4-tert-butyl-N-methylazepane-1-carboxamide?
4-tert-butyl-N-methylazepane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methylazepane-1-carboxamide is sourced from PubChem (CID 115631035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).