3-methyl-1-propan-2-yl-2H-azete

C7H13N — CID 66910848

IUPAC3-methyl-1-propan-2-yl-2H-azete
SMILESCC1=CN(C(C)C)C1
InChIInChI=1S/C7H13N/c1-6(2)8-4-7(3)5-8/h4,6H,5H2,1-3H3
InChIKeyDKFQBWSGHGEGLH-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.61
Rot. Bonds1

About 3-methyl-1-propan-2-yl-2H-azete

3-methyl-1-propan-2-yl-2H-azete (PubChem CID 66910848) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-2H-azete.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-2H-azete
PubChem CID66910848
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methyl-1-propan-2-yl-2H-azete
SMILESCC1=CN(C(C)C)C1
InChIInChI=1S/C7H13N/c1-6(2)8-4-7(3)5-8/h4,6H,5H2,1-3H3
InChIKeyDKFQBWSGHGEGLH-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-2H-azete?
The IUPAC name of 3-methyl-1-propan-2-yl-2H-azete (CID 66910848) is 3-methyl-1-propan-2-yl-2H-azete.
What is the SMILES notation for 3-methyl-1-propan-2-yl-2H-azete?
The canonical SMILES for 3-methyl-1-propan-2-yl-2H-azete is CC1=CN(C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-yl-2H-azete?
The InChIKey is DKFQBWSGHGEGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)8-4-7(3)5-8/h4,6H,5H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-2H-azete?
3-methyl-1-propan-2-yl-2H-azete has a molecular weight of 111.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-2H-azete is sourced from PubChem (CID 66910848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).