1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine

C14H25N5 — CID 116516122

IUPAC1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine
SMILESCc1ccc(N/C(=N/CC(C)C)NN)cc1N(C)C
InChIInChI=1S/C14H25N5/c1-10(2)9-16-14(18-15)17-12-7-6-11(3)13(8-12)19(4)5/h6-8,10H,9,15H2,1-5H3,(H2,16,17,18)
InChIKeyFQDOJHUCQHEZEX-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.95
Rot. Bonds4

About 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine

1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine (PubChem CID 116516122) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine
PubChem CID116516122
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine
SMILESCc1ccc(N/C(=N/CC(C)C)NN)cc1N(C)C
InChIInChI=1S/C14H25N5/c1-10(2)9-16-14(18-15)17-12-7-6-11(3)13(8-12)19(4)5/h6-8,10H,9,15H2,1-5H3,(H2,16,17,18)
InChIKeyFQDOJHUCQHEZEX-UHFFFAOYSA-N
XLogP1.95
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)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-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine
CID 116510994
N-[4-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]phenyl]acetamide
CID 116511353
1-amino-3-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 116512523
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
3-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]benzamide
CID 107811886
1-amino-2-(2-methylpropyl)-3-(4-methylsulfonylphenyl)guanidine
CID 116512240
1-(3-bromo-4-methylphenyl)-2-(2-methylpropyl)guanidine
CID 63334509
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
1-amino-2-(2-methylpropyl)-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514980
1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
CID 116512604
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine (CID 116516122) is 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine is Cc1ccc(N/C(=N/CC(C)C)NN)cc1N(C)C.
What is the InChIKey of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine?
The InChIKey is FQDOJHUCQHEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)9-16-14(18-15)17-12-7-6-11(3)13(8-12)19(4)5/h6-8,10H,9,15H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine?
1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine has a molecular weight of 263.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 116516122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).