2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine

C15H24N4 — CID 111065706

IUPAC2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H24N4/c1-2-9-17-15(16)18-11-13-8-10-19(12-13)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H3,16,17,18)
InChIKeyKXGKBLJTBLXAGP-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.83
Rot. Bonds5

About 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine

2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine (PubChem CID 111065706) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
PubChem CID111065706
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H24N4/c1-2-9-17-15(16)18-11-13-8-10-19(12-13)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H3,16,17,18)
InChIKeyKXGKBLJTBLXAGP-UHFFFAOYSA-N
XLogP1.83
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.83
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'}

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Related Compounds

2-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-1-propylguanidine
CID 111082081
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
2-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1-butylguanidine
CID 111076708
1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065722
2-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111076705
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
1-cyclopentyl-3-ethyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110991739
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
2-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111076729
N-ethyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443102

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine (CID 111065706) is 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine?
The InChIKey is KXGKBLJTBLXAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-9-17-15(16)18-11-13-8-10-19(12-13)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H3,16,17,18).
What are the key properties of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine?
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine has a molecular weight of 260.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine is sourced from PubChem (CID 111065706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).