(11Z)-8-methyl-1,5-diazacyclododec-11-ene

C11H22N2 — CID 146292863

IUPAC(11Z)-8-methyl-1,5-diazacyclododec-11-ene
SMILESCC1CC/C=C\NCCCNCC1
InChIInChI=1S/C11H22N2/c1-11-5-2-3-7-12-8-4-9-13-10-6-11/h3,7,11-13H,2,4-6,8-10H2,1H3/b7-3-
InChIKeyGFBNEBUXIMBDIL-CLTKARDFSA-N
MW182.31 g/mol
LogP1.89
Rot. Bonds

About (11Z)-8-methyl-1,5-diazacyclododec-11-ene

(11Z)-8-methyl-1,5-diazacyclododec-11-ene (PubChem CID 146292863) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (11Z)-8-methyl-1,5-diazacyclododec-11-ene.

Molecular Properties

Compound Name(11Z)-8-methyl-1,5-diazacyclododec-11-ene
PubChem CID146292863
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(11Z)-8-methyl-1,5-diazacyclododec-11-ene
SMILESCC1CC/C=C\NCCCNCC1
InChIInChI=1S/C11H22N2/c1-11-5-2-3-7-12-8-4-9-13-10-6-11/h3,7,11-13H,2,4-6,8-10H2,1H3/b7-3-
InChIKeyGFBNEBUXIMBDIL-CLTKARDFSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-methylcyclononene
CID 524408
2-methyl-1,5,9-triazacyclododecane
CID 22113611
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Frequently Asked Questions

What is the IUPAC name of (11Z)-8-methyl-1,5-diazacyclododec-11-ene?
The IUPAC name of (11Z)-8-methyl-1,5-diazacyclododec-11-ene (CID 146292863) is (11Z)-8-methyl-1,5-diazacyclododec-11-ene.
What is the SMILES notation for (11Z)-8-methyl-1,5-diazacyclododec-11-ene?
The canonical SMILES for (11Z)-8-methyl-1,5-diazacyclododec-11-ene is CC1CC/C=C\NCCCNCC1.
What is the InChIKey of (11Z)-8-methyl-1,5-diazacyclododec-11-ene?
The InChIKey is GFBNEBUXIMBDIL-CLTKARDFSA-N. The full InChI is InChI=1S/C11H22N2/c1-11-5-2-3-7-12-8-4-9-13-10-6-11/h3,7,11-13H,2,4-6,8-10H2,1H3/b7-3-.
What are the key properties of (11Z)-8-methyl-1,5-diazacyclododec-11-ene?
(11Z)-8-methyl-1,5-diazacyclododec-11-ene has a molecular weight of 182.31 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-8-methyl-1,5-diazacyclododec-11-ene is sourced from PubChem (CID 146292863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).