1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine

C11H16N6 — CID 90667253

IUPAC1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine
SMILESC/N=C(\NC#N)NCCCNc1ccccn1
InChIInChI=1S/C11H16N6/c1-13-11(17-9-12)16-8-4-7-15-10-5-2-3-6-14-10/h2-3,5-6H,4,7-8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyFOIPOBUIXCOHPE-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.53
Rot. Bonds5

About 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine

1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine (PubChem CID 90667253) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine
PubChem CID90667253
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine
SMILESC/N=C(\NC#N)NCCCNc1ccccn1
InChIInChI=1S/C11H16N6/c1-13-11(17-9-12)16-8-4-7-15-10-5-2-3-6-14-10/h2-3,5-6H,4,7-8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyFOIPOBUIXCOHPE-UHFFFAOYSA-N
XLogP0.53
TPSA85.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 110966440
2-methyl-1-(3-phenoxypropyl)-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111417975
2-methyl-1-(4-methylpentyl)-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111943538
1-(4-ethoxybutyl)-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111945806
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111882941
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111361943
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111971480
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111856128
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970205
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111387193
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
2-methyl-1-[(1-phenylsulfanylcyclopropyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111557033

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine?
The IUPAC name of 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine (CID 90667253) is 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine is C/N=C(\NC#N)NCCCNc1ccccn1.
What is the InChIKey of 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine?
The InChIKey is FOIPOBUIXCOHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-13-11(17-9-12)16-8-4-7-15-10-5-2-3-6-14-10/h2-3,5-6H,4,7-8H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine?
1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine has a molecular weight of 232.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-[3-(pyridin-2-ylamino)propyl]guanidine is sourced from PubChem (CID 90667253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).