1,2,2,4,4,5,6,6,8,8-decamethylazocane

C17H35N — CID 138617054

IUPAC1,2,2,4,4,5,6,6,8,8-decamethylazocane
SMILESCC1C(C)(C)CC(C)(C)N(C)C(C)(C)CC1(C)C
InChIInChI=1S/C17H35N/c1-13-14(2,3)11-16(6,7)18(10)17(8,9)12-15(13,4)5/h13H,11-12H2,1-10H3
InChIKeyNCIRSFDACUBVRI-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.96
Rot. Bonds

About 1,2,2,4,4,5,6,6,8,8-decamethylazocane

1,2,2,4,4,5,6,6,8,8-decamethylazocane (PubChem CID 138617054) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1,2,2,4,4,5,6,6,8,8-decamethylazocane.

Molecular Properties

Compound Name1,2,2,4,4,5,6,6,8,8-decamethylazocane
PubChem CID138617054
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1,2,2,4,4,5,6,6,8,8-decamethylazocane
SMILESCC1C(C)(C)CC(C)(C)N(C)C(C)(C)CC1(C)C
InChIInChI=1S/C17H35N/c1-13-14(2,3)11-16(6,7)18(10)17(8,9)12-15(13,4)5/h13H,11-12H2,1-10H3
InChIKeyNCIRSFDACUBVRI-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,4,5,6,6,8,8-decamethylazocane?
The IUPAC name of 1,2,2,4,4,5,6,6,8,8-decamethylazocane (CID 138617054) is 1,2,2,4,4,5,6,6,8,8-decamethylazocane.
What is the SMILES notation for 1,2,2,4,4,5,6,6,8,8-decamethylazocane?
The canonical SMILES for 1,2,2,4,4,5,6,6,8,8-decamethylazocane is CC1C(C)(C)CC(C)(C)N(C)C(C)(C)CC1(C)C.
What is the InChIKey of 1,2,2,4,4,5,6,6,8,8-decamethylazocane?
The InChIKey is NCIRSFDACUBVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-13-14(2,3)11-16(6,7)18(10)17(8,9)12-15(13,4)5/h13H,11-12H2,1-10H3.
What are the key properties of 1,2,2,4,4,5,6,6,8,8-decamethylazocane?
1,2,2,4,4,5,6,6,8,8-decamethylazocane has a molecular weight of 253.47 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,4,5,6,6,8,8-decamethylazocane is sourced from PubChem (CID 138617054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).