(8Z)-1-methyl-1-azacyclododec-8-ene

C12H23N — CID 155110698

IUPAC(8Z)-1-methyl-1-azacyclododec-8-ene
SMILESCN1CCC/C=C\CCCCCC1
InChIInChI=1S/C12H23N/c1-13-11-9-7-5-3-2-4-6-8-10-12-13/h3,5H,2,4,6-12H2,1H3/b5-3-
InChIKeyKIGRLGJHTBZRJA-HYXAFXHYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds

About (8Z)-1-methyl-1-azacyclododec-8-ene

(8Z)-1-methyl-1-azacyclododec-8-ene (PubChem CID 155110698) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (8Z)-1-methyl-1-azacyclododec-8-ene.

Molecular Properties

Compound Name(8Z)-1-methyl-1-azacyclododec-8-ene
PubChem CID155110698
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(8Z)-1-methyl-1-azacyclododec-8-ene
SMILESCN1CCC/C=C\CCCCCC1
InChIInChI=1S/C12H23N/c1-13-11-9-7-5-3-2-4-6-8-10-12-13/h3,5H,2,4,6-12H2,1H3/b5-3-
InChIKeyKIGRLGJHTBZRJA-HYXAFXHYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8Z)-1-methyl-1-azacyclododec-8-ene?
The IUPAC name of (8Z)-1-methyl-1-azacyclododec-8-ene (CID 155110698) is (8Z)-1-methyl-1-azacyclododec-8-ene.
What is the SMILES notation for (8Z)-1-methyl-1-azacyclododec-8-ene?
The canonical SMILES for (8Z)-1-methyl-1-azacyclododec-8-ene is CN1CCC/C=C\CCCCCC1.
What is the InChIKey of (8Z)-1-methyl-1-azacyclododec-8-ene?
The InChIKey is KIGRLGJHTBZRJA-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H23N/c1-13-11-9-7-5-3-2-4-6-8-10-12-13/h3,5H,2,4,6-12H2,1H3/b5-3-.
What are the key properties of (8Z)-1-methyl-1-azacyclododec-8-ene?
(8Z)-1-methyl-1-azacyclododec-8-ene has a molecular weight of 181.32 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-1-methyl-1-azacyclododec-8-ene is sourced from PubChem (CID 155110698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).