4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane

C28H44N4 — CID 101436229

IUPAC4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC1CCN(C)CCN(Cc2ccccc2)C(C)CCN(C)CCN1Cc1ccccc1
InChIInChI=1S/C28H44N4/c1-25-15-17-29(3)20-22-32(24-28-13-9-6-10-14-28)26(2)16-18-30(4)19-21-31(25)23-27-11-7-5-8-12-27/h5-14,25-26H,15-24H2,1-4H3
InChIKeySKJUUKWSLCCLDO-UHFFFAOYSA-N
MW436.69 g/mol
LogP4.43
Rot. Bonds4

About 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane

4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane (PubChem CID 101436229) has the molecular formula C28H44N4 and a molecular weight of 436.69 g/mol. Its IUPAC name is 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Name4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
PubChem CID101436229
Molecular FormulaC28H44N4
Molecular Weight436.69 g/mol
Exact Mass436.36
IUPAC Name4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC1CCN(C)CCN(Cc2ccccc2)C(C)CCN(C)CCN1Cc1ccccc1
InChIInChI=1S/C28H44N4/c1-25-15-17-29(3)20-22-32(24-28-13-9-6-10-14-28)26(2)16-18-30(4)19-21-31(25)23-27-11-7-5-8-12-27/h5-14,25-26H,15-24H2,1-4H3
InChIKeySKJUUKWSLCCLDO-UHFFFAOYSA-N
XLogP4.43
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,11-dibenzyl-1,5,8,12-tetramethyl-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

Related Compounds

1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
1-benzyl-2,5-dimethylpiperidine
CID 73200484
4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 133483690
4-benzyl-5-methyl-1-piperidin-3-yl-1,4-diazepane
CID 130892825
4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane
CID 130838279
N-[3-[(5R)-4-benzyl-5-methyl-1,4-diazepan-1-yl]propyl]acetamide
CID 97092572
(2S)-2-amino-1-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 119896976
4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane
CID 133491985
4-amino-1-(4-benzyl-5-methyl-1,4-diazepan-1-yl)butan-1-one
CID 119897008
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 11402886

Frequently Asked Questions

What is the IUPAC name of 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane (CID 101436229) is 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane is CC1CCN(C)CCN(Cc2ccccc2)C(C)CCN(C)CCN1Cc1ccccc1.
What is the InChIKey of 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is SKJUUKWSLCCLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4/c1-25-15-17-29(3)20-22-32(24-28-13-9-6-10-14-28)26(2)16-18-30(4)19-21-31(25)23-27-11-7-5-8-12-27/h5-14,25-26H,15-24H2,1-4H3.
What are the key properties of 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 436.69 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 101436229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).