1,2-dimethyl-azacyclododecane

C13H27N — CID 70316000

IUPAC1,2-dimethyl-azacyclododecane
SMILESCC1CCCCCCCCCCN1C
InChIInChI=1S/C13H27N/c1-13-11-9-7-5-3-4-6-8-10-12-14(13)2/h13H,3-12H2,1-2H3
InChIKeySAJQJLRFMMACDN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds

About 1,2-dimethyl-azacyclododecane

1,2-dimethyl-azacyclododecane (PubChem CID 70316000) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,2-dimethyl-azacyclododecane.

Molecular Properties

Compound Name1,2-dimethyl-azacyclododecane
PubChem CID70316000
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,2-dimethyl-azacyclododecane
SMILESCC1CCCCCCCCCCN1C
InChIInChI=1S/C13H27N/c1-13-11-9-7-5-3-4-6-8-10-12-14(13)2/h13H,3-12H2,1-2H3
InChIKeySAJQJLRFMMACDN-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-azacyclododecane?
The IUPAC name of 1,2-dimethyl-azacyclododecane (CID 70316000) is 1,2-dimethyl-azacyclododecane.
What is the SMILES notation for 1,2-dimethyl-azacyclododecane?
The canonical SMILES for 1,2-dimethyl-azacyclododecane is CC1CCCCCCCCCCN1C.
What is the InChIKey of 1,2-dimethyl-azacyclododecane?
The InChIKey is SAJQJLRFMMACDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-13-11-9-7-5-3-4-6-8-10-12-14(13)2/h13H,3-12H2,1-2H3.
What are the key properties of 1,2-dimethyl-azacyclododecane?
1,2-dimethyl-azacyclododecane has a molecular weight of 197.37 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-azacyclododecane is sourced from PubChem (CID 70316000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).