1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine

C18H30N4 — CID 110991673

IUPAC1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC(Cc1ccccc1)N(C)C)NC1CCCC1
InChIInChI=1S/C18H30N4/c1-19-18(21-16-11-7-8-12-16)20-14-17(22(2)3)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3,(H2,19,20,21)
InChIKeyZMYUZJYDQWMQIL-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine

1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine (PubChem CID 110991673) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine
PubChem CID110991673
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC(Cc1ccccc1)N(C)C)NC1CCCC1
InChIInChI=1S/C18H30N4/c1-19-18(21-16-11-7-8-12-16)20-14-17(22(2)3)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3,(H2,19,20,21)
InChIKeyZMYUZJYDQWMQIL-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-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-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 110991267
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine;hydroiodide
CID 111924534
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-4-methylpentyl]-2-methylguanidine
CID 110987442
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111243533
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109408241
1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine
CID 110956986
1-cyclopentyl-3-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111790947
1-[[[N-[2-(dimethylamino)-3-phenylpropyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570773
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methoxy-3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 111710350
1-[2-(dimethylamino)-3-phenylpropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine (CID 110991673) is 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine is C/N=C(\NCC(Cc1ccccc1)N(C)C)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine?
The InChIKey is ZMYUZJYDQWMQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-19-18(21-16-11-7-8-12-16)20-14-17(22(2)3)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine has a molecular weight of 302.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(dimethylamino)-3-phenylpropyl]-2-methylguanidine is sourced from PubChem (CID 110991673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).