5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane

C34H56N4 — CID 123942108

IUPAC5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane
SMILESCC1(C)C2CC3C(CC2N2C4CCNCC4C4CCCC1C42)C(C)(C)C1CCCC2C4CNCCC4N3C21
InChIInChI=1S/C34H56N4/c1-33(2)23-9-5-7-19-21-17-35-13-11-27(21)37(31(19)23)29-16-26-30(15-25(29)33)38-28-12-14-36-18-22(28)20-8-6-10-24(32(20)38)34(26,3)4/h19-32,35-36H,5-18H2,1-4H3
InChIKeyORJIKSXYJNIINJ-UHFFFAOYSA-N
MW520.85 g/mol
LogP4.99
Rot. Bonds

About 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane

5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane (PubChem CID 123942108) has the molecular formula C34H56N4 and a molecular weight of 520.85 g/mol. Its IUPAC name is 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane.

Molecular Properties

Compound Name5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane
PubChem CID123942108
Molecular FormulaC34H56N4
Molecular Weight520.85 g/mol
Exact Mass520.45
IUPAC Name5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane
SMILESCC1(C)C2CC3C(CC2N2C4CCNCC4C4CCCC1C42)C(C)(C)C1CCCC2C4CNCCC4N3C21
InChIInChI=1S/C34H56N4/c1-33(2)23-9-5-7-19-21-17-35-13-11-27(21)37(31(19)23)29-16-26-30(15-25(29)33)38-28-12-14-36-18-22(28)20-8-6-10-24(32(20)38)34(26,3)4/h19-32,35-36H,5-18H2,1-4H3
InChIKeyORJIKSXYJNIINJ-UHFFFAOYSA-N
XLogP4.99
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.85
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane?
The IUPAC name of 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane (CID 123942108) is 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane.
What is the SMILES notation for 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane?
The canonical SMILES for 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane is CC1(C)C2CC3C(CC2N2C4CCNCC4C4CCCC1C42)C(C)(C)C1CCCC2C4CNCCC4N3C21.
What is the InChIKey of 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane?
The InChIKey is ORJIKSXYJNIINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N4/c1-33(2)23-9-5-7-19-21-17-35-13-11-27(21)37(31(19)23)29-16-26-30(15-25(29)33)38-28-12-14-36-18-22(28)20-8-6-10-24(32(20)38)34(26,3)4/h19-32,35-36H,5-18H2,1-4H3.
What are the key properties of 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane?
5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane has a molecular weight of 520.85 g/mol, XLogP of 4.99, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,21,21-tetramethyl-1,13,17,29-tetrazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriacontane is sourced from PubChem (CID 123942108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).