1-methyl-1,4,7,10-tetrazacyclododec-7-ene

C9H20N4 — CID 145214959

IUPAC1-methyl-1,4,7,10-tetrazacyclododec-7-ene
SMILESCN1CCNC/C=N\CCNCC1
InChIInChI=1S/C9H20N4/c1-13-8-6-11-4-2-10-3-5-12-7-9-13/h2,11-12H,3-9H2,1H3/b10-2-
InChIKeyGCPUHNHXYKVJNW-SGAXSIHGSA-N
MW184.29 g/mol
LogP-0.82
Rot. Bonds

About 1-methyl-1,4,7,10-tetrazacyclododec-7-ene

1-methyl-1,4,7,10-tetrazacyclododec-7-ene (PubChem CID 145214959) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-methyl-1,4,7,10-tetrazacyclododec-7-ene.

Molecular Properties

Compound Name1-methyl-1,4,7,10-tetrazacyclododec-7-ene
PubChem CID145214959
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-methyl-1,4,7,10-tetrazacyclododec-7-ene
SMILESCN1CCNC/C=N\CCNCC1
InChIInChI=1S/C9H20N4/c1-13-8-6-11-4-2-10-3-5-12-7-9-13/h2,11-12H,3-9H2,1H3/b10-2-
InChIKeyGCPUHNHXYKVJNW-SGAXSIHGSA-N
XLogP-0.82
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1,4,7,10-tetrazacyclododec-7-ene 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-methyl-1,4,7,10-tetrazacyclododec-7-ene?
The IUPAC name of 1-methyl-1,4,7,10-tetrazacyclododec-7-ene (CID 145214959) is 1-methyl-1,4,7,10-tetrazacyclododec-7-ene.
What is the SMILES notation for 1-methyl-1,4,7,10-tetrazacyclododec-7-ene?
The canonical SMILES for 1-methyl-1,4,7,10-tetrazacyclododec-7-ene is CN1CCNC/C=N\CCNCC1.
What is the InChIKey of 1-methyl-1,4,7,10-tetrazacyclododec-7-ene?
The InChIKey is GCPUHNHXYKVJNW-SGAXSIHGSA-N. The full InChI is InChI=1S/C9H20N4/c1-13-8-6-11-4-2-10-3-5-12-7-9-13/h2,11-12H,3-9H2,1H3/b10-2-.
What are the key properties of 1-methyl-1,4,7,10-tetrazacyclododec-7-ene?
1-methyl-1,4,7,10-tetrazacyclododec-7-ene has a molecular weight of 184.29 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4,7,10-tetrazacyclododec-7-ene is sourced from PubChem (CID 145214959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).