1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene

C14H29N2+ — CID 163645480

IUPAC1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene
SMILESCN1CC=CCCC[NH+](C)CCCCCC1
InChIInChI=1S/C14H28N2/c1-15-11-7-3-5-9-13-16(2)14-10-6-4-8-12-15/h3,7H,4-6,8-14H2,1-2H3/p+1
InChIKeyIHVVXFBMBXZISA-UHFFFAOYSA-O
MW225.40 g/mol
LogP1.34
Rot. Bonds

About 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene

1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene (PubChem CID 163645480) has the molecular formula C14H29N2+ and a molecular weight of 225.40 g/mol. Its IUPAC name is 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene.

Molecular Properties

Compound Name1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene
PubChem CID163645480
Molecular FormulaC14H29N2+
Molecular Weight225.40 g/mol
Exact Mass225.23
IUPAC Name1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene
SMILESCN1CC=CCCC[NH+](C)CCCCCC1
InChIInChI=1S/C14H28N2/c1-15-11-7-3-5-9-13-16(2)14-10-6-4-8-12-15/h3,7H,4-6,8-14H2,1-2H3/p+1
InChIKeyIHVVXFBMBXZISA-UHFFFAOYSA-O
XLogP1.34
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene?
The IUPAC name of 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene (CID 163645480) is 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene.
What is the SMILES notation for 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene?
The canonical SMILES for 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene is CN1CC=CCCC[NH+](C)CCCCCC1.
What is the InChIKey of 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene?
The InChIKey is IHVVXFBMBXZISA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H28N2/c1-15-11-7-3-5-9-13-16(2)14-10-6-4-8-12-15/h3,7H,4-6,8-14H2,1-2H3/p+1.
What are the key properties of 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene?
1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene has a molecular weight of 225.40 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-8-aza-1-azoniacyclotetradec-10-ene is sourced from PubChem (CID 163645480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).