ethane;1,3,3,4,4,5-hexamethylazepane

C18H43N — CID 145124509

IUPACethane;1,3,3,4,4,5-hexamethylazepane
SMILESCC.CC.CC.CC1CCN(C)CC(C)(C)C1(C)C
InChIInChI=1S/C12H25N.3C2H6/c1-10-7-8-13(6)9-11(2,3)12(10,4)5;3*1-2/h10H,7-9H2,1-6H3;3*1-2H3
InChIKeyVWFNDRIZMMCGSF-UHFFFAOYSA-N
MW273.55 g/mol
LogP6.09
Rot. Bonds

About ethane;1,3,3,4,4,5-hexamethylazepane

ethane;1,3,3,4,4,5-hexamethylazepane (PubChem CID 145124509) has the molecular formula C18H43N and a molecular weight of 273.55 g/mol. Its IUPAC name is ethane;1,3,3,4,4,5-hexamethylazepane.

Molecular Properties

Compound Nameethane;1,3,3,4,4,5-hexamethylazepane
PubChem CID145124509
Molecular FormulaC18H43N
Molecular Weight273.55 g/mol
Exact Mass273.34
IUPAC Nameethane;1,3,3,4,4,5-hexamethylazepane
SMILESCC.CC.CC.CC1CCN(C)CC(C)(C)C1(C)C
InChIInChI=1S/C12H25N.3C2H6/c1-10-7-8-13(6)9-11(2,3)12(10,4)5;3*1-2/h10H,7-9H2,1-6H3;3*1-2H3
InChIKeyVWFNDRIZMMCGSF-UHFFFAOYSA-N
XLogP6.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.55
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,3,4,4,5-hexamethylazepane?
The IUPAC name of ethane;1,3,3,4,4,5-hexamethylazepane (CID 145124509) is ethane;1,3,3,4,4,5-hexamethylazepane.
What is the SMILES notation for ethane;1,3,3,4,4,5-hexamethylazepane?
The canonical SMILES for ethane;1,3,3,4,4,5-hexamethylazepane is CC.CC.CC.CC1CCN(C)CC(C)(C)C1(C)C.
What is the InChIKey of ethane;1,3,3,4,4,5-hexamethylazepane?
The InChIKey is VWFNDRIZMMCGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.3C2H6/c1-10-7-8-13(6)9-11(2,3)12(10,4)5;3*1-2/h10H,7-9H2,1-6H3;3*1-2H3.
What are the key properties of ethane;1,3,3,4,4,5-hexamethylazepane?
ethane;1,3,3,4,4,5-hexamethylazepane has a molecular weight of 273.55 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,3,4,4,5-hexamethylazepane is sourced from PubChem (CID 145124509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).