N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine

C31H29N — CID 11112476

IUPACN,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine
SMILESC(=C/C1C(c2ccccc2)C1N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C31H29N/c1-5-13-25(14-6-1)21-22-29-30(28-19-11-4-12-20-28)31(29)32(23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-22,29-31H,23-24H2/b22-21+
InChIKeyXOIVWGSPHXERLX-QURGRASLSA-N
MW415.58 g/mol
LogP7.18
Rot. Bonds8

About N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine

N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine (PubChem CID 11112476) has the molecular formula C31H29N and a molecular weight of 415.58 g/mol. Its IUPAC name is N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine
PubChem CID11112476
Molecular FormulaC31H29N
Molecular Weight415.58 g/mol
Exact Mass415.23
IUPAC NameN,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine
SMILESC(=C/C1C(c2ccccc2)C1N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C31H29N/c1-5-13-25(14-6-1)21-22-29-30(28-19-11-4-12-20-28)31(29)32(23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-22,29-31H,23-24H2/b22-21+
InChIKeyXOIVWGSPHXERLX-QURGRASLSA-N
XLogP7.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine?
The IUPAC name of N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine (CID 11112476) is N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine.
What is the SMILES notation for N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine?
The canonical SMILES for N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine is C(=C/C1C(c2ccccc2)C1N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine?
The InChIKey is XOIVWGSPHXERLX-QURGRASLSA-N. The full InChI is InChI=1S/C31H29N/c1-5-13-25(14-6-1)21-22-29-30(28-19-11-4-12-20-28)31(29)32(23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-22,29-31H,23-24H2/b22-21+.
What are the key properties of N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine?
N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine has a molecular weight of 415.58 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-phenyl-3-[(E)-2-phenylethenyl]cyclopropan-1-amine is sourced from PubChem (CID 11112476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).