1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane

C11H24N4 — CID 69275664

IUPAC1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane
SMILESC=C(C)N1CCNCCNCCNCC1
InChIInChI=1S/C11H24N4/c1-11(2)15-9-7-13-5-3-12-4-6-14-8-10-15/h12-14H,1,3-10H2,2H3
InChIKeyQMYZCBUMRSDIES-UHFFFAOYSA-N
MW212.34 g/mol
LogP-0.40
Rot. Bonds1

About 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane

1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane (PubChem CID 69275664) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane
PubChem CID69275664
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane
SMILESC=C(C)N1CCNCCNCCNCC1
InChIInChI=1S/C11H24N4/c1-11(2)15-9-7-13-5-3-12-4-6-14-8-10-15/h12-14H,1,3-10H2,2H3
InChIKeyQMYZCBUMRSDIES-UHFFFAOYSA-N
XLogP-0.40
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane 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-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane (CID 69275664) is 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane is C=C(C)N1CCNCCNCCNCC1.
What is the InChIKey of 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane?
The InChIKey is QMYZCBUMRSDIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-11(2)15-9-7-13-5-3-12-4-6-14-8-10-15/h12-14H,1,3-10H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane?
1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane has a molecular weight of 212.34 g/mol, XLogP of -0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 69275664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).