2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane

C23H48N2 — CID 175612245

IUPAC2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane
SMILESCC(C)C1N(C(C)C)C(C)(C)C(C)(C)C(C)(C)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C23H48N2/c1-16(2)18-19(5,6)21(9,10)24(15)22(11,12)20(7,8)23(13,14)25(18)17(3)4/h16-18H,1-15H3
InChIKeyUHJPPOKGYNQRPG-UHFFFAOYSA-N
MW352.65 g/mol
LogP6.05
Rot. Bonds2

About 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane

2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane (PubChem CID 175612245) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane
PubChem CID175612245
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane
SMILESCC(C)C1N(C(C)C)C(C)(C)C(C)(C)C(C)(C)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C23H48N2/c1-16(2)18-19(5,6)21(9,10)24(15)22(11,12)20(7,8)23(13,14)25(18)17(3)4/h16-18H,1-15H3
InChIKeyUHJPPOKGYNQRPG-UHFFFAOYSA-N
XLogP6.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane?
The IUPAC name of 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane (CID 175612245) is 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane.
What is the SMILES notation for 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane?
The canonical SMILES for 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane is CC(C)C1N(C(C)C)C(C)(C)C(C)(C)C(C)(C)N(C)C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane?
The InChIKey is UHJPPOKGYNQRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2/c1-16(2)18-19(5,6)21(9,10)24(15)22(11,12)20(7,8)23(13,14)25(18)17(3)4/h16-18H,1-15H3.
What are the key properties of 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane?
2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane has a molecular weight of 352.65 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane is sourced from PubChem (CID 175612245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).