1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene

C21H43N3O2 — CID 144511600

IUPAC1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene
SMILESCC1=CN(O)CC(C)(C)CC(C)(C)CN(O)CCC(C)(C)CNCC1C
InChIInChI=1S/C21H43N3O2/c1-17-11-22-14-19(3,4)9-10-23(25)15-20(5,6)13-21(7,8)16-24(26)12-18(17)2/h12,17,22,25-26H,9-11,13-16H2,1-8H3
InChIKeyBHNSPMCAHBWYMO-UHFFFAOYSA-N
MW369.59 g/mol
LogP4.37
Rot. Bonds

About 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene

1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene (PubChem CID 144511600) has the molecular formula C21H43N3O2 and a molecular weight of 369.59 g/mol. Its IUPAC name is 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene.

Molecular Properties

Compound Name1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene
PubChem CID144511600
Molecular FormulaC21H43N3O2
Molecular Weight369.59 g/mol
Exact Mass369.34
IUPAC Name1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene
SMILESCC1=CN(O)CC(C)(C)CC(C)(C)CN(O)CCC(C)(C)CNCC1C
InChIInChI=1S/C21H43N3O2/c1-17-11-22-14-19(3,4)9-10-23(25)15-20(5,6)13-21(7,8)16-24(26)12-18(17)2/h12,17,22,25-26H,9-11,13-16H2,1-8H3
InChIKeyBHNSPMCAHBWYMO-UHFFFAOYSA-N
XLogP4.37
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-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 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene?
The IUPAC name of 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene (CID 144511600) is 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene.
What is the SMILES notation for 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene?
The canonical SMILES for 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene is CC1=CN(O)CC(C)(C)CC(C)(C)CN(O)CCC(C)(C)CNCC1C.
What is the InChIKey of 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene?
The InChIKey is BHNSPMCAHBWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O2/c1-17-11-22-14-19(3,4)9-10-23(25)15-20(5,6)13-21(7,8)16-24(26)12-18(17)2/h12,17,22,25-26H,9-11,13-16H2,1-8H3.
What are the key properties of 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene?
1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene has a molecular weight of 369.59 g/mol, XLogP of 4.37, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dihydroxy-3,4,8,8,13,13,15,15-octamethyl-1,6,11-triazacyclohexadec-2-ene is sourced from PubChem (CID 144511600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).