N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

C19H27N — CID 116518042

IUPACN-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(C2CC2c2ccccc2)CC2CCC1C2
InChIInChI=1S/C19H27N/c1-2-20-13-19(12-14-8-9-16(19)10-14)18-11-17(18)15-6-4-3-5-7-15/h3-7,14,16-18,20H,2,8-13H2,1H3
InChIKeyWXFYVUHFXFFKQN-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.21
Rot. Bonds5

About N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (PubChem CID 116518042) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
PubChem CID116518042
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(C2CC2c2ccccc2)CC2CCC1C2
InChIInChI=1S/C19H27N/c1-2-20-13-19(12-14-8-9-16(19)10-14)18-11-17(18)15-6-4-3-5-7-15/h3-7,14,16-18,20H,2,8-13H2,1H3
InChIKeyWXFYVUHFXFFKQN-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (CID 116518042) is N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is CCNCC1(C2CC2c2ccccc2)CC2CCC1C2.
What is the InChIKey of N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The InChIKey is WXFYVUHFXFFKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-20-13-19(12-14-8-9-16(19)10-14)18-11-17(18)15-6-4-3-5-7-15/h3-7,14,16-18,20H,2,8-13H2,1H3.
What are the key properties of N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is sourced from PubChem (CID 116518042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).