1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine

C26H25N3 — CID 22675602

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
SMILES[H]/N=C(\N(C)Cc1cccc2ccccc12)N(C)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C26H25N3/c1-28(17-21-10-5-8-18-7-3-4-11-22(18)21)26(27)29(2)24-16-15-20-14-13-19-9-6-12-23(24)25(19)20/h3-12,15-16,27H,13-14,17H2,1-2H3/b27-26+
InChIKeySTTJRAOXPAQMSJ-CYYJNZCTSA-N
MW379.51 g/mol
LogP5.59
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine

1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine (PubChem CID 22675602) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
PubChem CID22675602
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
SMILES[H]/N=C(\N(C)Cc1cccc2ccccc12)N(C)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C26H25N3/c1-28(17-21-10-5-8-18-7-3-4-11-22(18)21)26(27)29(2)24-16-15-20-14-13-19-9-6-12-23(24)25(19)20/h3-12,15-16,27H,13-14,17H2,1-2H3/b27-26+
InChIKeySTTJRAOXPAQMSJ-CYYJNZCTSA-N
XLogP5.59
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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'-bis(5-acenaphthyl)guanidine
CID 190902
N,N''-Dimethyl-N,N''-di-naphthalen-1-yl-guanidine
CID 9797984
N-(1-naphthyl)-N'-(m-tolyl)-N'-methylguanidine
CID 9835629
N-(1-naphthyl)-N'-(m-ethylphenyl)-N'-ethylguanidine
CID 9839973
N-(3-Ethylphenyl)-N,N'-dimethyl-N'-(1-naphthyl)guanidine
CID 9858146
N''-(3-Ethyl-phenyl)-N-methyl-N-naphthalen-1-yl-guanidine
CID 9862757
N-Ethyl-N,N''-di-naphthalen-1-yl-guanidine
CID 9902485
N-Methyl-N,N''-di-naphthalen-1-yl-guanidine
CID 9923341
N-(3-Ethylphenyl)-N-methyl-N'-ethyl-N'-(1-naphthyl)guanidine
CID 9996818
N''-(2-Isopropyl-phenyl)-N-methyl-N-naphthalen-1-yl-guanidine
CID 10267880

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine (CID 22675602) is 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine is [H]/N=C(\N(C)Cc1cccc2ccccc12)N(C)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
The InChIKey is STTJRAOXPAQMSJ-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H25N3/c1-28(17-21-10-5-8-18-7-3-4-11-22(18)21)26(27)29(2)24-16-15-20-14-13-19-9-6-12-23(24)25(19)20/h3-12,15-16,27H,13-14,17H2,1-2H3/b27-26+.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine has a molecular weight of 379.51 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 22675602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).