3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine

C15H27N5 — CID 116513793

IUPAC3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine
SMILESCC(C)CN(CCN(C)C)/C(=N/c1ccccc1)NN
InChIInChI=1S/C15H27N5/c1-13(2)12-20(11-10-19(3)4)15(18-16)17-14-8-6-5-7-9-14/h5-9,13H,10-12,16H2,1-4H3,(H,17,18)
InChIKeyZYYSZXIBNYSLBJ-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.66
Rot. Bonds6

About 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine

3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine (PubChem CID 116513793) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine.

Molecular Properties

Compound Name3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine
PubChem CID116513793
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine
SMILESCC(C)CN(CCN(C)C)/C(=N/c1ccccc1)NN
InChIInChI=1S/C15H27N5/c1-13(2)12-20(11-10-19(3)4)15(18-16)17-14-8-6-5-7-9-14/h5-9,13H,10-12,16H2,1-4H3,(H,17,18)
InChIKeyZYYSZXIBNYSLBJ-UHFFFAOYSA-N
XLogP1.66
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
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 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine 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

3-amino-1,1-bis(2-methylpropyl)-2-phenylguanidine
CID 116513758
3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine
CID 116514645
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)guanidine
CID 104884485
3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine
CID 116514654
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide
CID 63176847
3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116512868
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
CID 86999370
3-amino-1-[(4-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
CID 116514725
3-amino-1-cyclopropyl-1-ethyl-2-phenylguanidine
CID 116513151
N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide
CID 140611359
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine?
The IUPAC name of 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine (CID 116513793) is 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine.
What is the SMILES notation for 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine?
The canonical SMILES for 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine is CC(C)CN(CCN(C)C)/C(=N/c1ccccc1)NN.
What is the InChIKey of 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine?
The InChIKey is ZYYSZXIBNYSLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-13(2)12-20(11-10-19(3)4)15(18-16)17-14-8-6-5-7-9-14/h5-9,13H,10-12,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine?
3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine has a molecular weight of 277.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine is sourced from PubChem (CID 116513793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).