1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine

C14H24N4O — CID 116511453

IUPAC1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine
SMILESCCc1cccc(C)c1N/C(=N/CCCOC)NN
InChIInChI=1S/C14H24N4O/c1-4-12-8-5-7-11(2)13(12)17-14(18-15)16-9-6-10-19-3/h5,7-8H,4,6,9-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyFCHKVCRYLCDURF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds6

About 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine

1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine (PubChem CID 116511453) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine
PubChem CID116511453
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine
SMILESCCc1cccc(C)c1N/C(=N/CCCOC)NN
InChIInChI=1S/C14H24N4O/c1-4-12-8-5-7-11(2)13(12)17-14(18-15)16-9-6-10-19-3/h5,7-8H,4,6,9-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyFCHKVCRYLCDURF-UHFFFAOYSA-N
XLogP1.83
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)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

1-amino-3-(2,6-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512527
1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine
CID 116511457
1-amino-2-butyl-3-[2-(2-methoxyethyl)phenyl]guanidine
CID 102909057
1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine
CID 107590564
1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine
CID 102909060
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
1-amino-2-(3-methoxypropyl)-3-(3,4,5-trifluorophenyl)guanidine
CID 116511165
1-amino-3-(2,5-dichlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116511445
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103645
1-amino-3-(3-bromo-4-chlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116515767

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine (CID 116511453) is 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine is CCc1cccc(C)c1N/C(=N/CCCOC)NN.
What is the InChIKey of 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine?
The InChIKey is FCHKVCRYLCDURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-12-8-5-7-11(2)13(12)17-14(18-15)16-9-6-10-19-3/h5,7-8H,4,6,9-10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine?
1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 116511453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).