4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide

C19H26N6 — CID 122182388

IUPAC4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCCN(C)c2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C19H26N6/c1-24(16-8-4-14(5-9-16)18(20)21)12-3-13-25(2)17-10-6-15(7-11-17)19(22)23/h4-11H,3,12-13H2,1-2H3,(H3,20,21)(H3,22,23)
InChIKeyGFMNLGJZENOYFJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.22
Rot. Bonds8

About 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide

4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide (PubChem CID 122182388) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
PubChem CID122182388
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCCN(C)c2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C19H26N6/c1-24(16-8-4-14(5-9-16)18(20)21)12-3-13-25(2)17-10-6-15(7-11-17)19(22)23/h4-11H,3,12-13H2,1-2H3,(H3,20,21)(H3,22,23)
InChIKeyGFMNLGJZENOYFJ-UHFFFAOYSA-N
XLogP2.22
TPSA106.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 65317772
3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
4-[(2,2-difluoro-2-phenylethyl)-methylamino]benzenecarboximidamide
CID 116789572
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide
CID 62969809

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide (CID 122182388) is 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CCCN(C)c2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide?
The InChIKey is GFMNLGJZENOYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-24(16-8-4-14(5-9-16)18(20)21)12-3-13-25(2)17-10-6-15(7-11-17)19(22)23/h4-11H,3,12-13H2,1-2H3,(H3,20,21)(H3,22,23).
What are the key properties of 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide?
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide has a molecular weight of 338.46 g/mol, XLogP of 2.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 122182388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).