1,2,2,3,4-pentamethylazete

C8H15N — CID 118029232

IUPAC1,2,2,3,4-pentamethylazete
SMILESCC1=C(C)C(C)(C)N1C
InChIInChI=1S/C8H15N/c1-6-7(2)9(5)8(6,3)4/h1-5H3
InChIKeyHSTWDDAHVVCTET-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.00
Rot. Bonds

About 1,2,2,3,4-pentamethylazete

1,2,2,3,4-pentamethylazete (PubChem CID 118029232) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1,2,2,3,4-pentamethylazete.

Molecular Properties

Compound Name1,2,2,3,4-pentamethylazete
PubChem CID118029232
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1,2,2,3,4-pentamethylazete
SMILESCC1=C(C)C(C)(C)N1C
InChIInChI=1S/C8H15N/c1-6-7(2)9(5)8(6,3)4/h1-5H3
InChIKeyHSTWDDAHVVCTET-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4-pentamethylazete?
The IUPAC name of 1,2,2,3,4-pentamethylazete (CID 118029232) is 1,2,2,3,4-pentamethylazete.
What is the SMILES notation for 1,2,2,3,4-pentamethylazete?
The canonical SMILES for 1,2,2,3,4-pentamethylazete is CC1=C(C)C(C)(C)N1C.
What is the InChIKey of 1,2,2,3,4-pentamethylazete?
The InChIKey is HSTWDDAHVVCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-7(2)9(5)8(6,3)4/h1-5H3.
What are the key properties of 1,2,2,3,4-pentamethylazete?
1,2,2,3,4-pentamethylazete has a molecular weight of 125.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4-pentamethylazete is sourced from PubChem (CID 118029232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).