1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine

C14H23N5 — CID 86786119

IUPAC1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
SMILESC/N=C(\NC)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C14H23N5/c1-11-6-7-12(10-17-14(15-2)16-3)13(18-11)19-8-4-5-9-19/h6-7H,4-5,8-10H2,1-3H3,(H2,15,16,17)
InChIKeySQHRTJJNDNCXHH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds3

About 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine

1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine (PubChem CID 86786119) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
PubChem CID86786119
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
SMILESC/N=C(\NC)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C14H23N5/c1-11-6-7-12(10-17-14(15-2)16-3)13(18-11)19-8-4-5-9-19/h6-7H,4-5,8-10H2,1-3H3,(H2,15,16,17)
InChIKeySQHRTJJNDNCXHH-UHFFFAOYSA-N
XLogP1.29
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 110026801
2-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 110028330
1,2-dimethyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110914853
1-(2-hydroxypropyl)-1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 84599317
4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 139001184
1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 100661667
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028346
3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 110028358
2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110026892
1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-[(3S)-thiolan-3-yl]urea
CID 97348072
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028362
(3aS,6aS)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole-5-carboxamide
CID 126797585

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine (CID 86786119) is 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine is C/N=C(\NC)NCc1ccc(C)nc1N1CCCC1.
What is the InChIKey of 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is SQHRTJJNDNCXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11-6-7-12(10-17-14(15-2)16-3)13(18-11)19-8-4-5-9-19/h6-7H,4-5,8-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 86786119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).