6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

C32H60N12 — CID 91368077

IUPAC6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
SMILESCN1CCC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3CN(C)CCC63)C3CN(C)CCC53)C3CN(C)CCC43)C2C1
InChIInChI=1S/C32H60N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h17-40H,5-16H2,1-4H3
InChIKeyPMOORCREASZOTP-UHFFFAOYSA-N
MW612.92 g/mol
LogP-2.35
Rot. Bonds

About 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (PubChem CID 91368077) has the molecular formula C32H60N12 and a molecular weight of 612.92 g/mol. Its IUPAC name is 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.

Molecular Properties

Compound Name6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
PubChem CID91368077
Molecular FormulaC32H60N12
Molecular Weight612.92 g/mol
Exact Mass612.51
IUPAC Name6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
SMILESCN1CCC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3CN(C)CCC63)C3CN(C)CCC53)C3CN(C)CCC43)C2C1
InChIInChI=1S/C32H60N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h17-40H,5-16H2,1-4H3
InChIKeyPMOORCREASZOTP-UHFFFAOYSA-N
XLogP-2.35
TPSA109.20 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500612.92
LogP ≤ 5-2.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane with MolForge

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Related Compounds

6,15,24,33-Tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 91368076
2,5,11,14,20,23,29,35,37,38,39,40-Dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 123355370
2,5,11,17,20,23,29,35,37,38,39,40-Dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 123388519
2,6,11,15,20,24,29,34,37,38,39,40-Dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 123538180
Methane;4-[[5-(piperidin-4-ylmethyl)-1-(pyrrolidin-1-ylmethyl)pyrrolidin-2-yl]methyl]piperidine;bis(4-(pyrrolidin-2-ylmethyl)piperidine)
CID 159933965
2,8,12,17,23,28,31,32,33,34-Decazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriacontane
CID 173614557
2,5,8,11,14,17,20,23,26,29,32,38,40-Tridecaza-37,39-diazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane diiodide
CID 174084317
2,5,11,14,20,23,29,32,38,40-Decaza-37,39-diazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane diiodide
CID 174084334
7,16,25,34-Tetraethyl-2,5,11,14,20,23,29,32,38,40-decaza-37,39-diazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane diiodide
CID 174084336
37-Methyl-2,6,11,15,20,24,29,33,38,39,40-undecaza-37-azonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 174086767
7,16,25,34-Tetraethyl-37-methyl-2,5,11,14,20,23,29,32,38,39,40-undecaza-37-azonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 174086771
37-Methyl-2,5,11,14,20,23,29,32,38,39,40-undecaza-37-azonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 174086775

Frequently Asked Questions

What is the IUPAC name of 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?
The IUPAC name of 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (CID 91368077) is 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.
What is the SMILES notation for 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?
The canonical SMILES for 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is CN1CCC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3CN(C)CCC63)C3CN(C)CCC53)C3CN(C)CCC43)C2C1.
What is the InChIKey of 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?
The InChIKey is PMOORCREASZOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h17-40H,5-16H2,1-4H3.
What are the key properties of 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?
6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane has a molecular weight of 612.92 g/mol, XLogP of -2.35, 0 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is sourced from PubChem (CID 91368077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).