1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine

C17H20N4 — CID 110031741

IUPAC1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
SMILESCN(/C(N)=N/Cc1cccc(-c2ccccn2)c1)C1CC1
InChIInChI=1S/C17H20N4/c1-21(15-8-9-15)17(18)20-12-13-5-4-6-14(11-13)16-7-2-3-10-19-16/h2-7,10-11,15H,8-9,12H2,1H3,(H2,18,20)
InChIKeySHFHOGPJNRKWFQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.66
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine

1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine (PubChem CID 110031741) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
PubChem CID110031741
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
SMILESCN(/C(N)=N/Cc1cccc(-c2ccccn2)c1)C1CC1
InChIInChI=1S/C17H20N4/c1-21(15-8-9-15)17(18)20-12-13-5-4-6-14(11-13)16-7-2-3-10-19-16/h2-7,10-11,15H,8-9,12H2,1H3,(H2,18,20)
InChIKeySHFHOGPJNRKWFQ-UHFFFAOYSA-N
XLogP2.66
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
CID 110031073
1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
CID 110029884
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029855
1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
CID 110029556
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467
1-cyclopropyl-1-methyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110030939
N-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 110030433
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine (CID 110031741) is 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine is CN(/C(N)=N/Cc1cccc(-c2ccccn2)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine?
The InChIKey is SHFHOGPJNRKWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-21(15-8-9-15)17(18)20-12-13-5-4-6-14(11-13)16-7-2-3-10-19-16/h2-7,10-11,15H,8-9,12H2,1H3,(H2,18,20).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine has a molecular weight of 280.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine is sourced from PubChem (CID 110031741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).