1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine

C25H25N3 — CID 12014152

IUPAC1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine
SMILESC[C@@H](/N=C(\N)N[C@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H25N3/c1-17(21-13-11-19-7-3-5-9-23(19)15-21)27-25(26)28-18(2)22-14-12-20-8-4-6-10-24(20)16-22/h3-18H,1-2H3,(H3,26,27,28)/t17-,18-/m1/s1
InChIKeyFYYHTHUYJLSMPO-QZTJIDSGSA-N
MW367.50 g/mol
LogP5.72
Rot. Bonds4

About 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine

1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine (PubChem CID 12014152) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine.

Molecular Properties

Compound Name1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine
PubChem CID12014152
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine
SMILESC[C@@H](/N=C(\N)N[C@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H25N3/c1-17(21-13-11-19-7-3-5-9-23(19)15-21)27-25(26)28-18(2)22-14-12-20-8-4-6-10-24(20)16-22/h3-18H,1-2H3,(H3,26,27,28)/t17-,18-/m1/s1
InChIKeyFYYHTHUYJLSMPO-QZTJIDSGSA-N
XLogP5.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
CID 78776331
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine
CID 146180917
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine?
The IUPAC name of 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine (CID 12014152) is 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine.
What is the SMILES notation for 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine?
The canonical SMILES for 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine is C[C@@H](/N=C(\N)N[C@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine?
The InChIKey is FYYHTHUYJLSMPO-QZTJIDSGSA-N. The full InChI is InChI=1S/C25H25N3/c1-17(21-13-11-19-7-3-5-9-23(19)15-21)27-25(26)28-18(2)22-14-12-20-8-4-6-10-24(20)16-22/h3-18H,1-2H3,(H3,26,27,28)/t17-,18-/m1/s1.
What are the key properties of 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine?
1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine has a molecular weight of 367.50 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine is sourced from PubChem (CID 12014152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).