1,3,4-tri(propan-2-yl)-2H-azete

C12H23N — CID 67522459

IUPAC1,3,4-tri(propan-2-yl)-2H-azete
SMILESCC(C)C1=C(C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H23N/c1-8(2)11-7-13(10(5)6)12(11)9(3)4/h8-10H,7H2,1-6H3
InChIKeyUVBJPQLBWIJYAA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.28
Rot. Bonds3

About 1,3,4-tri(propan-2-yl)-2H-azete

1,3,4-tri(propan-2-yl)-2H-azete (PubChem CID 67522459) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1,3,4-tri(propan-2-yl)-2H-azete.

Molecular Properties

Compound Name1,3,4-tri(propan-2-yl)-2H-azete
PubChem CID67522459
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1,3,4-tri(propan-2-yl)-2H-azete
SMILESCC(C)C1=C(C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H23N/c1-8(2)11-7-13(10(5)6)12(11)9(3)4/h8-10H,7H2,1-6H3
InChIKeyUVBJPQLBWIJYAA-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-tri(propan-2-yl)-2H-azete?
The IUPAC name of 1,3,4-tri(propan-2-yl)-2H-azete (CID 67522459) is 1,3,4-tri(propan-2-yl)-2H-azete.
What is the SMILES notation for 1,3,4-tri(propan-2-yl)-2H-azete?
The canonical SMILES for 1,3,4-tri(propan-2-yl)-2H-azete is CC(C)C1=C(C(C)C)N(C(C)C)C1.
What is the InChIKey of 1,3,4-tri(propan-2-yl)-2H-azete?
The InChIKey is UVBJPQLBWIJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)11-7-13(10(5)6)12(11)9(3)4/h8-10H,7H2,1-6H3.
What are the key properties of 1,3,4-tri(propan-2-yl)-2H-azete?
1,3,4-tri(propan-2-yl)-2H-azete has a molecular weight of 181.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tri(propan-2-yl)-2H-azete is sourced from PubChem (CID 67522459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).