N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine

C31H28N2 — CID 15066370

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine
SMILESC[C@@H](/N=c1\cccccc1N[C@H](C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C31H28N2/c1-22(26-18-10-14-24-12-6-8-16-28(24)26)32-30-20-4-3-5-21-31(30)33-23(2)27-19-11-15-25-13-7-9-17-29(25)27/h3-23H,1-2H3,(H,32,33)/t22-,23-/m1/s1
InChIKeyYVGRGKBZMHKGNA-DHIUTWEWSA-N
MW428.58 g/mol
LogP7.83
Rot. Bonds5

About N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine (PubChem CID 15066370) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine
PubChem CID15066370
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine
SMILESC[C@@H](/N=c1\cccccc1N[C@H](C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C31H28N2/c1-22(26-18-10-14-24-12-6-8-16-28(24)26)32-30-20-4-3-5-21-31(30)33-23(2)27-19-11-15-25-13-7-9-17-29(25)27/h3-23H,1-2H3,(H,32,33)/t22-,23-/m1/s1
InChIKeyYVGRGKBZMHKGNA-DHIUTWEWSA-N
XLogP7.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine (CID 15066370) is N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine is C[C@@H](/N=c1\cccccc1N[C@H](C)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine?
The InChIKey is YVGRGKBZMHKGNA-DHIUTWEWSA-N. The full InChI is InChI=1S/C31H28N2/c1-22(26-18-10-14-24-12-6-8-16-28(24)26)32-30-20-4-3-5-21-31(30)33-23(2)27-19-11-15-25-13-7-9-17-29(25)27/h3-23H,1-2H3,(H,32,33)/t22-,23-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine has a molecular weight of 428.58 g/mol, XLogP of 7.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 15066370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).