4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide

C16H22N4 — CID 139399063

IUPAC4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide
SMILESCc1cccc(N/C(=N\C2CC2)C2=C(N)CCNC2)c1
InChIInChI=1S/C16H22N4/c1-11-3-2-4-13(9-11)20-16(19-12-5-6-12)14-10-18-8-7-15(14)17/h2-4,9,12,18H,5-8,10,17H2,1H3,(H,19,20)
InChIKeyOJXITOQMSBOXEK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.17
Rot. Bonds3

About 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide

4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide (PubChem CID 139399063) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide
PubChem CID139399063
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide
SMILESCc1cccc(N/C(=N\C2CC2)C2=C(N)CCNC2)c1
InChIInChI=1S/C16H22N4/c1-11-3-2-4-13(9-11)20-16(19-12-5-6-12)14-10-18-8-7-15(14)17/h2-4,9,12,18H,5-8,10,17H2,1H3,(H,19,20)
InChIKeyOJXITOQMSBOXEK-UHFFFAOYSA-N
XLogP2.17
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
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

(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
CID 119119381
N-(3-methylphenyl)-3-piperidin-4-yloxypropanamide
CID 63875437
N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide
CID 43607677
1-(3-methylphenyl)-2-spiro[3.4]octan-3-ylguanidine
CID 120514416
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
CID 116674576
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
N-(3-methylphenyl)acetamide
CID 10843
[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate
CID 79336958

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide?
The IUPAC name of 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide (CID 139399063) is 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide.
What is the SMILES notation for 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide?
The canonical SMILES for 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide is Cc1cccc(N/C(=N\C2CC2)C2=C(N)CCNC2)c1.
What is the InChIKey of 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide?
The InChIKey is OJXITOQMSBOXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-3-2-4-13(9-11)20-16(19-12-5-6-12)14-10-18-8-7-15(14)17/h2-4,9,12,18H,5-8,10,17H2,1H3,(H,19,20).
What are the key properties of 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide?
4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide has a molecular weight of 270.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-cyclopropyl-N-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboximidamide is sourced from PubChem (CID 139399063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).