N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine

C25H26N2 — CID 19796050

IUPACN-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine
SMILESCCNc1ccc(Cc2ccc(NCC)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H26N2/c1-3-26-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(27-4-2)23-12-8-6-10-21(19)23/h5-16,26-27H,3-4,17H2,1-2H3
InChIKeyGCPOAWFICPITSV-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.45
Rot. Bonds6

About N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine

N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine (PubChem CID 19796050) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine
PubChem CID19796050
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC NameN-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine
SMILESCCNc1ccc(Cc2ccc(NCC)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H26N2/c1-3-26-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(27-4-2)23-12-8-6-10-21(19)23/h5-16,26-27H,3-4,17H2,1-2H3
InChIKeyGCPOAWFICPITSV-UHFFFAOYSA-N
XLogP6.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine?
The IUPAC name of N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine (CID 19796050) is N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine.
What is the SMILES notation for N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine?
The canonical SMILES for N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine is CCNc1ccc(Cc2ccc(NCC)c3ccccc23)c2ccccc12.
What is the InChIKey of N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine?
The InChIKey is GCPOAWFICPITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-3-26-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(27-4-2)23-12-8-6-10-21(19)23/h5-16,26-27H,3-4,17H2,1-2H3.
What are the key properties of N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine?
N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine has a molecular weight of 354.50 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine is sourced from PubChem (CID 19796050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).