N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine

C38H36N2 — CID 58217316

IUPACN,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine
SMILESC1=NCc2ccc(N(CCC(c3ccccc3)c3ccccc3)CCC(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C38H36N2/c1-5-13-30(14-6-1)37(31-15-7-2-8-16-31)23-25-40(36-22-21-34-28-39-29-35(34)27-36)26-24-38(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-22,27,29,37-38H,23-26,28H2
InChIKeyYHNNOWCWWSZAGN-UHFFFAOYSA-N
MW520.72 g/mol
LogP8.87
Rot. Bonds11

About N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine

N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine (PubChem CID 58217316) has the molecular formula C38H36N2 and a molecular weight of 520.72 g/mol. Its IUPAC name is N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine.

Molecular Properties

Compound NameN,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine
PubChem CID58217316
Molecular FormulaC38H36N2
Molecular Weight520.72 g/mol
Exact Mass520.29
IUPAC NameN,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine
SMILESC1=NCc2ccc(N(CCC(c3ccccc3)c3ccccc3)CCC(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C38H36N2/c1-5-13-30(14-6-1)37(31-15-7-2-8-16-31)23-25-40(36-22-21-34-28-39-29-35(34)27-36)26-24-38(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-22,27,29,37-38H,23-26,28H2
InChIKeyYHNNOWCWWSZAGN-UHFFFAOYSA-N
XLogP8.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine?
The IUPAC name of N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine (CID 58217316) is N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine.
What is the SMILES notation for N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine?
The canonical SMILES for N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine is C1=NCc2ccc(N(CCC(c3ccccc3)c3ccccc3)CCC(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine?
The InChIKey is YHNNOWCWWSZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2/c1-5-13-30(14-6-1)37(31-15-7-2-8-16-31)23-25-40(36-22-21-34-28-39-29-35(34)27-36)26-24-38(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-22,27,29,37-38H,23-26,28H2.
What are the key properties of N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine?
N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine has a molecular weight of 520.72 g/mol, XLogP of 8.87, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine is sourced from PubChem (CID 58217316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).