N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide

C11H15N3 — CID 114957607

IUPACN'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
SMILESCc1ccncc1C/N=C(\N)C1CC1
InChIInChI=1S/C11H15N3/c1-8-4-5-13-6-10(8)7-14-11(12)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,12,14)
InChIKeyLURIETRWMLIZOL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.66
Rot. Bonds3

About N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide

N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide (PubChem CID 114957607) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
PubChem CID114957607
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
SMILESCc1ccncc1C/N=C(\N)C1CC1
InChIInChI=1S/C11H15N3/c1-8-4-5-13-6-10(8)7-14-11(12)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,12,14)
InChIKeyLURIETRWMLIZOL-UHFFFAOYSA-N
XLogP1.66
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.66
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

N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
CID 114957609
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83873294
4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine
CID 139016896
1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
CID 114700716
3-(cyclopropylmethyl)-4-methylpyridine
CID 166091588
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
CID 114958064
3-(cyclopropylmethyl)-4-methylpyridine;ethane
CID 166091587
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide
CID 138057699
2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83676274
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120836903

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide (CID 114957607) is N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide is Cc1ccncc1C/N=C(\N)C1CC1.
What is the InChIKey of N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide?
The InChIKey is LURIETRWMLIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-4-5-13-6-10(8)7-14-11(12)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,12,14).
What are the key properties of N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide?
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide has a molecular weight of 189.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide is sourced from PubChem (CID 114957607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).