2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane

C15H22N2 — CID 169288848

IUPAC2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)c1cccc(N2CC3CC2CN3C)c1
InChIInChI=1S/C15H22N2/c1-11(2)12-5-4-6-13(7-12)17-10-14-8-15(17)9-16(14)3/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyOUNAWGILDBHBSI-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.70
Rot. Bonds2

About 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 169288848) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID169288848
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)c1cccc(N2CC3CC2CN3C)c1
InChIInChI=1S/C15H22N2/c1-11(2)12-5-4-6-13(7-12)17-10-14-8-15(17)9-16(14)3/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyOUNAWGILDBHBSI-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane (CID 169288848) is 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)c1cccc(N2CC3CC2CN3C)c1.
What is the InChIKey of 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is OUNAWGILDBHBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)12-5-4-6-13(7-12)17-10-14-8-15(17)9-16(14)3/h4-7,11,14-15H,8-10H2,1-3H3.
What are the key properties of 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 230.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 169288848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).