1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine

C14H21N5 — CID 116514981

IUPAC1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
SMILESNN/C(=N\C1CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H21N5/c15-18-14(16-11-3-4-11)17-12-5-7-13(8-6-12)19-9-1-2-10-19/h5-8,11H,1-4,9-10,15H2,(H2,16,17,18)
InChIKeySZVHDISBSLBCLN-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.68
Rot. Bonds3

About 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine

1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine (PubChem CID 116514981) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
PubChem CID116514981
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
SMILESNN/C(=N\C1CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H21N5/c15-18-14(16-11-3-4-11)17-12-5-7-13(8-6-12)19-9-1-2-10-19/h5-8,11H,1-4,9-10,15H2,(H2,16,17,18)
InChIKeySZVHDISBSLBCLN-UHFFFAOYSA-N
XLogP1.68
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)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-2-(2-methylpropyl)-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514980
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-amino-3-(3-chloro-4-fluorophenyl)-2-cyclopropylguanidine
CID 116511301
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
CID 116511110
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
trans-(1R,2R)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733438
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733437
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine (CID 116514981) is 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine is NN/C(=N\C1CC1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine?
The InChIKey is SZVHDISBSLBCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c15-18-14(16-11-3-4-11)17-12-5-7-13(8-6-12)19-9-1-2-10-19/h5-8,11H,1-4,9-10,15H2,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine?
1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine has a molecular weight of 259.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine is sourced from PubChem (CID 116514981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).