2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine

C15H25N5 — CID 168590766

IUPAC2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine
SMILESCCCN(CCC)Cc1ccccc1C=NN=C(N)N
InChIInChI=1S/C15H25N5/c1-3-9-20(10-4-2)12-14-8-6-5-7-13(14)11-18-19-15(16)17/h5-8,11H,3-4,9-10,12H2,1-2H3,(H4,16,17,19)
InChIKeyWPDQNUGFBZUVPQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.92
Rot. Bonds8

About 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine

2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine (PubChem CID 168590766) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine
PubChem CID168590766
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine
SMILESCCCN(CCC)Cc1ccccc1C=NN=C(N)N
InChIInChI=1S/C15H25N5/c1-3-9-20(10-4-2)12-14-8-6-5-7-13(14)11-18-19-15(16)17/h5-8,11H,3-4,9-10,12H2,1-2H3,(H4,16,17,19)
InChIKeyWPDQNUGFBZUVPQ-UHFFFAOYSA-N
XLogP1.92
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine
CID 168590834
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168591849
1-(2-methanehydrazonoylphenyl)-N,N-dimethylmethanamine
CID 168530555
methyl (2E)-2-[(2Z)-2-[[2-[(dipropylamino)methyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172925017
2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine
CID 54540601
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
2-[(E)-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2,3-dipropoxyphenyl]methylideneamino]guanidine;dihydrochloride
CID 45263357
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
2-[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591297
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine (CID 168590766) is 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine is CCCN(CCC)Cc1ccccc1C=NN=C(N)N.
What is the InChIKey of 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine?
The InChIKey is WPDQNUGFBZUVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-9-20(10-4-2)12-14-8-6-5-7-13(14)11-18-19-15(16)17/h5-8,11H,3-4,9-10,12H2,1-2H3,(H4,16,17,19).
What are the key properties of 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine?
2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine has a molecular weight of 275.40 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).