1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine

C18H30N4 — CID 110956986

IUPAC1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine
SMILESC/N=C(\NCCN(C)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H30N4/c1-19-18(21-17-11-7-4-8-12-17)20-13-14-22(2)15-16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-15H2,1-2H3,(H2,19,20,21)
InChIKeyVLNATTIXANQMBD-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.62
Rot. Bonds6

About 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine

1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine (PubChem CID 110956986) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine
PubChem CID110956986
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine
SMILESC/N=C(\NCCN(C)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H30N4/c1-19-18(21-17-11-7-4-8-12-17)20-13-14-22(2)15-16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-15H2,1-2H3,(H2,19,20,21)
InChIKeyVLNATTIXANQMBD-UHFFFAOYSA-N
XLogP2.62
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine 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

1-[2-[benzyl(methyl)amino]ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915868
1-[2-(benzylsulfamoyl)ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110957739
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
CID 111779651
1-[2-[benzyl(methyl)amino]ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111392568
1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine
CID 110991673
1-(1-benzylpiperidin-4-yl)-3-[3-[cyclohexyl(methyl)amino]propyl]-2-methylguanidine
CID 110985712
1-cyclopentyl-2-methyl-3-(3-phenylsulfanylpropyl)guanidine
CID 110990963
1-[2-[benzyl(methyl)amino]ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232999
1-[3-[benzyl(methyl)amino]propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111870458
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110958992
1-[3-(benzenesulfonyl)propyl]-3-cyclohexyl-2-methylguanidine
CID 110957518

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine?
The IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine (CID 110956986) is 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine is C/N=C(\NCCN(C)Cc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine?
The InChIKey is VLNATTIXANQMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-19-18(21-17-11-7-4-8-12-17)20-13-14-22(2)15-16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-15H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine?
1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine has a molecular weight of 302.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine is sourced from PubChem (CID 110956986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).