1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane

C15H32N4 — CID 123612906

IUPAC1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane
SMILESCC=C(C)CN1CCCNCCNCCCNCC1
InChIInChI=1S/C15H32N4/c1-3-15(2)14-19-12-5-8-17-10-9-16-6-4-7-18-11-13-19/h3,16-18H,4-14H2,1-2H3
InChIKeyZQAUIJYEMJXNBE-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.82
Rot. Bonds2

About 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane

1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane (PubChem CID 123612906) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Name1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane
PubChem CID123612906
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane
SMILESCC=C(C)CN1CCCNCCNCCCNCC1
InChIInChI=1S/C15H32N4/c1-3-15(2)14-19-12-5-8-17-10-9-16-6-4-7-18-11-13-19/h3,16-18H,4-14H2,1-2H3
InChIKeyZQAUIJYEMJXNBE-UHFFFAOYSA-N
XLogP0.82
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane (CID 123612906) is 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane is CC=C(C)CN1CCCNCCNCCCNCC1.
What is the InChIKey of 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is ZQAUIJYEMJXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-3-15(2)14-19-12-5-8-17-10-9-16-6-4-7-18-11-13-19/h3,16-18H,4-14H2,1-2H3.
What are the key properties of 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane?
1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 268.45 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-2-enyl)-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 123612906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).