6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane

C16H21N — CID 175861742

IUPAC6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane
SMILESCC1(c2ccc(C34CCNCC3C4)cc2)CC1
InChIInChI=1S/C16H21N/c1-15(6-7-15)12-2-4-13(5-3-12)16-8-9-17-11-14(16)10-16/h2-5,14,17H,6-11H2,1H3
InChIKeyHFNLULCSJAFEBL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.99
Rot. Bonds2

About 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane

6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane (PubChem CID 175861742) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane
PubChem CID175861742
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane
SMILESCC1(c2ccc(C34CCNCC3C4)cc2)CC1
InChIInChI=1S/C16H21N/c1-15(6-7-15)12-2-4-13(5-3-12)16-8-9-17-11-14(16)10-16/h2-5,14,17H,6-11H2,1H3
InChIKeyHFNLULCSJAFEBL-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane (CID 175861742) is 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane is CC1(c2ccc(C34CCNCC3C4)cc2)CC1.
What is the InChIKey of 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane?
The InChIKey is HFNLULCSJAFEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-15(6-7-15)12-2-4-13(5-3-12)16-8-9-17-11-14(16)10-16/h2-5,14,17H,6-11H2,1H3.
What are the key properties of 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane?
6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane has a molecular weight of 227.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 175861742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).