1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine

C10H17N5 — CID 116515197

IUPAC1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1cnccc1C
InChIInChI=1S/C10H17N5/c1-3-5-13-10(15-11)14-9-7-12-6-4-8(9)2/h4,6-7H,3,5,11H2,1-2H3,(H2,13,14,15)
InChIKeyQEVGRIOTEGEOKV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.03
Rot. Bonds3

About 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine

1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine (PubChem CID 116515197) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine
PubChem CID116515197
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1cnccc1C
InChIInChI=1S/C10H17N5/c1-3-5-13-10(15-11)14-9-7-12-6-4-8(9)2/h4,6-7H,3,5,11H2,1-2H3,(H2,13,14,15)
InChIKeyQEVGRIOTEGEOKV-UHFFFAOYSA-N
XLogP1.03
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.03
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-amino-2-cyclopropyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515203
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
CID 116512604
1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515198
4-methyl-N'-propylpyridine-3-carboximidamide
CID 114878884
1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
CID 114258213
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
CID 114958064
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 116513335
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine (CID 116515197) is 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine is CCC/N=C(\NN)Nc1cnccc1C.
What is the InChIKey of 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine?
The InChIKey is QEVGRIOTEGEOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-3-5-13-10(15-11)14-9-7-12-6-4-8(9)2/h4,6-7H,3,5,11H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine?
1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine has a molecular weight of 207.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine is sourced from PubChem (CID 116515197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).