1-methylazecane-6-carboxamide

C11H22N2O — CID 121218409

IUPAC1-methylazecane-6-carboxamide
SMILESCN1CCCCC(C(N)=O)CCCC1
InChIInChI=1S/C11H22N2O/c1-13-8-4-2-6-10(11(12)14)7-3-5-9-13/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyCZLDEJZZYTUUGX-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds1

About 1-methylazecane-6-carboxamide

1-methylazecane-6-carboxamide (PubChem CID 121218409) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methylazecane-6-carboxamide.

Molecular Properties

Compound Name1-methylazecane-6-carboxamide
PubChem CID121218409
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methylazecane-6-carboxamide
SMILESCN1CCCCC(C(N)=O)CCCC1
InChIInChI=1S/C11H22N2O/c1-13-8-4-2-6-10(11(12)14)7-3-5-9-13/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyCZLDEJZZYTUUGX-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylazecane-6-carboxamide?
The IUPAC name of 1-methylazecane-6-carboxamide (CID 121218409) is 1-methylazecane-6-carboxamide.
What is the SMILES notation for 1-methylazecane-6-carboxamide?
The canonical SMILES for 1-methylazecane-6-carboxamide is CN1CCCCC(C(N)=O)CCCC1.
What is the InChIKey of 1-methylazecane-6-carboxamide?
The InChIKey is CZLDEJZZYTUUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-8-4-2-6-10(11(12)14)7-3-5-9-13/h10H,2-9H2,1H3,(H2,12,14).
What are the key properties of 1-methylazecane-6-carboxamide?
1-methylazecane-6-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazecane-6-carboxamide is sourced from PubChem (CID 121218409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).