N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine

C19H27N — CID 79561966

IUPACN-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)CC2CC3CCC2C3)cc1
InChIInChI=1S/C19H27N/c1-2-4-15(5-3-1)18(13-20-19-8-9-19)12-17-11-14-6-7-16(17)10-14/h1-5,14,16-20H,6-13H2
InChIKeyCWFHKFRYIRLMJI-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.35
Rot. Bonds6

About N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine

N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine (PubChem CID 79561966) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
PubChem CID79561966
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)CC2CC3CCC2C3)cc1
InChIInChI=1S/C19H27N/c1-2-4-15(5-3-1)18(13-20-19-8-9-19)12-17-11-14-6-7-16(17)10-14/h1-5,14,16-20H,6-13H2
InChIKeyCWFHKFRYIRLMJI-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine (CID 79561966) is N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine is c1ccc(C(CNC2CC2)CC2CC3CCC2C3)cc1.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine?
The InChIKey is CWFHKFRYIRLMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-4-15(5-3-1)18(13-20-19-8-9-19)12-17-11-14-6-7-16(17)10-14/h1-5,14,16-20H,6-13H2.
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine?
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine has a molecular weight of 269.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine is sourced from PubChem (CID 79561966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).