1,4,4,7,7-pentamethylazecane

C14H29N — CID 137411559

IUPAC1,4,4,7,7-pentamethylazecane
SMILESCN1CCCC(C)(C)CCC(C)(C)CC1
InChIInChI=1S/C14H29N/c1-13(2)7-6-11-15(5)12-10-14(3,4)9-8-13/h6-12H2,1-5H3
InChIKeyXOQSMPUVMDTQGG-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds

About 1,4,4,7,7-pentamethylazecane

1,4,4,7,7-pentamethylazecane (PubChem CID 137411559) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1,4,4,7,7-pentamethylazecane.

Molecular Properties

Compound Name1,4,4,7,7-pentamethylazecane
PubChem CID137411559
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1,4,4,7,7-pentamethylazecane
SMILESCN1CCCC(C)(C)CCC(C)(C)CC1
InChIInChI=1S/C14H29N/c1-13(2)7-6-11-15(5)12-10-14(3,4)9-8-13/h6-12H2,1-5H3
InChIKeyXOQSMPUVMDTQGG-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,4,7,7-pentamethylazecane?
The IUPAC name of 1,4,4,7,7-pentamethylazecane (CID 137411559) is 1,4,4,7,7-pentamethylazecane.
What is the SMILES notation for 1,4,4,7,7-pentamethylazecane?
The canonical SMILES for 1,4,4,7,7-pentamethylazecane is CN1CCCC(C)(C)CCC(C)(C)CC1.
What is the InChIKey of 1,4,4,7,7-pentamethylazecane?
The InChIKey is XOQSMPUVMDTQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-13(2)7-6-11-15(5)12-10-14(3,4)9-8-13/h6-12H2,1-5H3.
What are the key properties of 1,4,4,7,7-pentamethylazecane?
1,4,4,7,7-pentamethylazecane has a molecular weight of 211.39 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,7,7-pentamethylazecane is sourced from PubChem (CID 137411559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).