2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine

C18H30N4 — CID 111813552

IUPAC2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC1CCCN1Cc1ccccc1
InChIInChI=1S/C18H30N4/c1-15(2)10-11-20-18(19)21-13-17-9-6-12-22(17)14-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H3,19,20,21)
InChIKeySUEZGBRHONDAAX-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.60
Rot. Bonds7

About 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine

2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine (PubChem CID 111813552) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine
PubChem CID111813552
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC1CCCN1Cc1ccccc1
InChIInChI=1S/C18H30N4/c1-15(2)10-11-20-18(19)21-13-17-9-6-12-22(17)14-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H3,19,20,21)
InChIKeySUEZGBRHONDAAX-UHFFFAOYSA-N
XLogP2.60
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.60
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-benzylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide
CID 111078002
2-[(1-benzylpiperidin-2-yl)methyl]-1-butylguanidine;hydroiodide
CID 111077998
1-[3-(4-benzylpiperazin-1-yl)propyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111059152
2-[(1-benzylpiperidin-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111078017
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-ethyl-3-(2-hydroxyethyl)guanidine
CID 111985241
1-[2-(3-chlorophenyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111031372
1-[3-[benzyl(methyl)amino]propyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111035045
2-[(1-benzylpiperidin-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111077996
ethyl 4-[[N'-[(1-benzylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111813543
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111583369
1-[2-(4-ethylphenyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111802716
1-[2-(benzenesulfonamido)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111043928

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine (CID 111813552) is 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CC1CCCN1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine?
The InChIKey is SUEZGBRHONDAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-15(2)10-11-20-18(19)21-13-17-9-6-12-22(17)14-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine?
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine has a molecular weight of 302.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111813552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).