1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine

C10H23N5 — CID 104884151

IUPAC1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CC1CCN(C)C1)NN
InChIInChI=1S/C10H23N5/c1-8(2)13-10(14-11)12-6-9-4-5-15(3)7-9/h8-9H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyRZIUECLUHWIUOE-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.24
Rot. Bonds3

About 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine

1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine (PubChem CID 104884151) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
PubChem CID104884151
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CC1CCN(C)C1)NN
InChIInChI=1S/C10H23N5/c1-8(2)13-10(14-11)12-6-9-4-5-15(3)7-9/h8-9H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyRZIUECLUHWIUOE-UHFFFAOYSA-N
XLogP-0.24
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.24
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

2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
1-amino-3-butyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 104884773
1-amino-2-[(2-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 107421475
1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
CID 104884569
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125993
1-ethyl-3-propan-2-yl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111124097
1-ethyl-3-(5-methylhexan-2-yl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111762884
1-ethyl-3-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111127316
1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine
CID 104888583
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
1-ethyl-3-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111127315

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine (CID 104884151) is 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine is CC(C)N/C(=N\CC1CCN(C)C1)NN.
What is the InChIKey of 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine?
The InChIKey is RZIUECLUHWIUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-8(2)13-10(14-11)12-6-9-4-5-15(3)7-9/h8-9H,4-7,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine?
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine has a molecular weight of 213.33 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine is sourced from PubChem (CID 104884151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).