4-(azocan-1-yl)-2-methylbenzenecarboximidamide

C15H23N3 — CID 81279161

IUPAC4-(azocan-1-yl)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCCCC2)cc1C
InChIInChI=1S/C15H23N3/c1-12-11-13(7-8-14(12)15(16)17)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10H2,1H3,(H3,16,17)
InChIKeyLGLQRIDPYULZNV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.05
Rot. Bonds2

About 4-(azocan-1-yl)-2-methylbenzenecarboximidamide

4-(azocan-1-yl)-2-methylbenzenecarboximidamide (PubChem CID 81279161) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(azocan-1-yl)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(azocan-1-yl)-2-methylbenzenecarboximidamide
PubChem CID81279161
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(azocan-1-yl)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCCCC2)cc1C
InChIInChI=1S/C15H23N3/c1-12-11-13(7-8-14(12)15(16)17)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10H2,1H3,(H3,16,17)
InChIKeyLGLQRIDPYULZNV-UHFFFAOYSA-N
XLogP3.05
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
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

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Amiflamine
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CID 3043606
N-(3,4-dimethylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 9551883
4-[2-(4-carbamimidoyl-N-methylanilino)ethyl-methylamino]benzenecarboximidamide
CID 44482444
4-[5-(4-carbamimidoyl-N-methylanilino)pentyl-methylamino]benzenecarboximidamide;dihydrochloride
CID 57393472
4-[5-(4-carbamimidoyl-N-methylanilino)pentyl-methylamino]benzenecarboximidamide;hydrochloride
CID 90680791
4-[2-(4-carbamimidoyl-N-ethylanilino)ethyl-ethylamino]benzenecarboximidamide
CID 122182387
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-Piperidin-1-ylbenzenecarboximidamide
CID 21758414
Hydrazinecarboximidamide, 2-((4-(diethylamino)phenyl)methylene)-
CID 9561622
4-[Ethyl(methyl)amino]benzene-1-carboximidamide
CID 43263484

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(azocan-1-yl)-2-methylbenzenecarboximidamide (CID 81279161) is 4-(azocan-1-yl)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(azocan-1-yl)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(azocan-1-yl)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCCCCC2)cc1C.
What is the InChIKey of 4-(azocan-1-yl)-2-methylbenzenecarboximidamide?
The InChIKey is LGLQRIDPYULZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-11-13(7-8-14(12)15(16)17)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10H2,1H3,(H3,16,17).
What are the key properties of 4-(azocan-1-yl)-2-methylbenzenecarboximidamide?
4-(azocan-1-yl)-2-methylbenzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81279161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).