1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine

C34H38N4 — CID 155936920

IUPAC1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2cccc(N(C)Cc3ccccc3CN(C)c3cccc4cccc(N(C)C)c34)c12
InChIInChI=1S/C34H38N4/c1-35(2)29-19-9-15-25-17-11-21-31(33(25)29)37(5)23-27-13-7-8-14-28(27)24-38(6)32-22-12-18-26-16-10-20-30(34(26)32)36(3)4/h7-22H,23-24H2,1-6H3
InChIKeyZOVLSOMWDRVWEB-UHFFFAOYSA-N
MW502.71 g/mol
LogP7.40
Rot. Bonds8

About 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine

1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine (PubChem CID 155936920) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine
PubChem CID155936920
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2cccc(N(C)Cc3ccccc3CN(C)c3cccc4cccc(N(C)C)c34)c12
InChIInChI=1S/C34H38N4/c1-35(2)29-19-9-15-25-17-11-21-31(33(25)29)37(5)23-27-13-7-8-14-28(27)24-38(6)32-22-12-18-26-16-10-20-30(34(26)32)36(3)4/h7-22H,23-24H2,1-6H3
InChIKeyZOVLSOMWDRVWEB-UHFFFAOYSA-N
XLogP7.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine?
The IUPAC name of 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine (CID 155936920) is 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine.
What is the SMILES notation for 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine?
The canonical SMILES for 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine is CN(C)c1cccc2cccc(N(C)Cc3ccccc3CN(C)c3cccc4cccc(N(C)C)c34)c12.
What is the InChIKey of 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine?
The InChIKey is ZOVLSOMWDRVWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4/c1-35(2)29-19-9-15-25-17-11-21-31(33(25)29)37(5)23-27-13-7-8-14-28(27)24-38(6)32-22-12-18-26-16-10-20-30(34(26)32)36(3)4/h7-22H,23-24H2,1-6H3.
What are the key properties of 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine?
1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine has a molecular weight of 502.71 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine is sourced from PubChem (CID 155936920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).