1-(1-methylpyrrolidin-3-yl)-2-propylguanidine

C9H20N4 — CID 62363794

IUPAC1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCN(C)C1
InChIInChI=1S/C9H20N4/c1-3-5-11-9(10)12-8-4-6-13(2)7-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyIYALQAFXGVWPCI-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.00
Rot. Bonds3

About 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine

1-(1-methylpyrrolidin-3-yl)-2-propylguanidine (PubChem CID 62363794) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
PubChem CID62363794
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCN(C)C1
InChIInChI=1S/C9H20N4/c1-3-5-11-9(10)12-8-4-6-13(2)7-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyIYALQAFXGVWPCI-UHFFFAOYSA-N
XLogP0.00
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.00
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

1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 104885074
1-(1,1-dioxothian-4-yl)-2-propylguanidine
CID 62364853
1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine
CID 67208588
4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
CID 62363981
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115150628
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
ethyl 4-[[N'-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111085432
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
CID 63273569
1-cyclopropyl-2-(1,3-dimethylpiperidin-4-yl)guanidine
CID 115600959
1-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]guanidine;hydroiodide
CID 119147592

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine (CID 62363794) is 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine is CCC/N=C(\N)NC1CCN(C)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
The InChIKey is IYALQAFXGVWPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-5-11-9(10)12-8-4-6-13(2)7-8/h8H,3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
1-(1-methylpyrrolidin-3-yl)-2-propylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-2-propylguanidine is sourced from PubChem (CID 62363794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).