1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane

C19H39N — CID 58319374

IUPAC1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane
SMILESCN1C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C19H39N/c1-14(2)15(3,4)17(7,8)19(11,12)20(13)18(9,10)16(14,5)6/h1-13H3
InChIKeyKOEWORXRZAGESM-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.59
Rot. Bonds

About 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane

1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane (PubChem CID 58319374) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane
PubChem CID58319374
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane
SMILESCN1C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C19H39N/c1-14(2)15(3,4)17(7,8)19(11,12)20(13)18(9,10)16(14,5)6/h1-13H3
InChIKeyKOEWORXRZAGESM-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane (CID 58319374) is 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane is CN1C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane?
The InChIKey is KOEWORXRZAGESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-14(2)15(3,4)17(7,8)19(11,12)20(13)18(9,10)16(14,5)6/h1-13H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane?
1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane has a molecular weight of 281.53 g/mol, XLogP of 5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane is sourced from PubChem (CID 58319374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).