2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine

C32H42N8 — CID 71718364

IUPAC2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine
SMILESN/C(=N\CCCNCCCCNCCC/N=C(\N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C32H42N8/c33-31(39-29-15-13-25-9-1-3-11-27(25)23-29)37-21-7-19-35-17-5-6-18-36-20-8-22-38-32(34)40-30-16-14-26-10-2-4-12-28(26)24-30/h1-4,9-16,23-24,35-36H,5-8,17-22H2,(H3,33,37,39)(H3,34,38,40)
InChIKeyMNJSVXNFNCDWPB-UHFFFAOYSA-N
MW538.74 g/mol
LogP4.89
Rot. Bonds15

About 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine

2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine (PubChem CID 71718364) has the molecular formula C32H42N8 and a molecular weight of 538.74 g/mol. Its IUPAC name is 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine.

Molecular Properties

Compound Name2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine
PubChem CID71718364
Molecular FormulaC32H42N8
Molecular Weight538.74 g/mol
Exact Mass538.35
IUPAC Name2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine
SMILESN/C(=N\CCCNCCCCNCCC/N=C(\N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C32H42N8/c33-31(39-29-15-13-25-9-1-3-11-27(25)23-29)37-21-7-19-35-17-5-6-18-36-20-8-22-38-32(34)40-30-16-14-26-10-2-4-12-28(26)24-30/h1-4,9-16,23-24,35-36H,5-8,17-22H2,(H3,33,37,39)(H3,34,38,40)
InChIKeyMNJSVXNFNCDWPB-UHFFFAOYSA-N
XLogP4.89
TPSA124.88 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 54.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Aptiganel Hydrochloride
CID 60839
Aptiganel
CID 60840
N,N'-DI-1-Naphthylformamidine
CID 265007
Spermine tris-1-NapG
CID 71680586
Spermine bis-1-NapG
CID 71718960
Spermine tris-2-NapG
CID 71719569
1,2-Dinaphthalen-1-ylguanidine
CID 344343
N-(1-naphthyl)-N'-(m-ethylphenyl)guanidine
CID 9817442
N-(1-naphthyl)-N'-(m-tolyl)-N'-methylguanidine
CID 9835629
N-(1-naphthyl)-N'-(m-ethylphenyl)-N'-ethylguanidine
CID 9839973
N''-(3-Ethyl-phenyl)-N-methyl-N-naphthalen-1-yl-guanidine
CID 9862757
N-Ethyl-N,N''-di-naphthalen-1-yl-guanidine
CID 9902485

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine?
The IUPAC name of 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine (CID 71718364) is 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine.
What is the SMILES notation for 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine?
The canonical SMILES for 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine is N/C(=N\CCCNCCCCNCCC/N=C(\N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine?
The InChIKey is MNJSVXNFNCDWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8/c33-31(39-29-15-13-25-9-1-3-11-27(25)23-29)37-21-7-19-35-17-5-6-18-36-20-8-22-38-32(34)40-30-16-14-26-10-2-4-12-28(26)24-30/h1-4,9-16,23-24,35-36H,5-8,17-22H2,(H3,33,37,39)(H3,34,38,40).
What are the key properties of 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine?
2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine has a molecular weight of 538.74 g/mol, XLogP of 4.89, 15 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-ylguanidine is sourced from PubChem (CID 71718364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).