1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine

C11H25N5 — CID 104884569

IUPAC1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCN(C(C)C)C1)NN
InChIInChI=1S/C11H25N5/c1-4-13-11(15-12)14-7-10-5-6-16(8-10)9(2)3/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyPPBGQPXABAVFIL-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.15
Rot. Bonds4

About 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine

1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 104884569) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
PubChem CID104884569
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCN(C(C)C)C1)NN
InChIInChI=1S/C11H25N5/c1-4-13-11(15-12)14-7-10-5-6-16(8-10)9(2)3/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyPPBGQPXABAVFIL-UHFFFAOYSA-N
XLogP0.15
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-ethyl-3-(3-methylbutyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110977655
1-butan-2-yl-3-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 110943909
1-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111849352
1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 104886091
1-ethyl-3-(2-methylsulfanylethyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111345300
N-[2-[[N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927522
1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine
CID 130878893
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151
1-ethyl-3-(1-phenylethyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 110948427
1-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915085
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125993
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111397779

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine (CID 104884569) is 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine is CCN/C(=N\CC1CCN(C(C)C)C1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is PPBGQPXABAVFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-4-13-11(15-12)14-7-10-5-6-16(8-10)9(2)3/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine?
1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 227.36 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 104884569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).