2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine

C15H24N6 — CID 168590834

IUPAC2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine
SMILESCCN1CCN(Cc2ccccc2C=NN=C(N)N)CC1
InChIInChI=1S/C15H24N6/c1-2-20-7-9-21(10-8-20)12-14-6-4-3-5-13(14)11-18-19-15(16)17/h3-6,11H,2,7-10,12H2,1H3,(H4,16,17,19)
InChIKeyCNSGJDXSRZTWPW-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.43
Rot. Bonds5

About 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine

2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine (PubChem CID 168590834) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine
PubChem CID168590834
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine
SMILESCCN1CCN(Cc2ccccc2C=NN=C(N)N)CC1
InChIInChI=1S/C15H24N6/c1-2-20-7-9-21(10-8-20)12-14-6-4-3-5-13(14)11-18-19-15(16)17/h3-6,11H,2,7-10,12H2,1H3,(H4,16,17,19)
InChIKeyCNSGJDXSRZTWPW-UHFFFAOYSA-N
XLogP0.43
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine
CID 168590766
2-[(4-ethylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 24710954
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 110915955
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
2-bromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 82974919
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168591849
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine (CID 168590834) is 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine is CCN1CCN(Cc2ccccc2C=NN=C(N)N)CC1.
What is the InChIKey of 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine?
The InChIKey is CNSGJDXSRZTWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-2-20-7-9-21(10-8-20)12-14-6-4-3-5-13(14)11-18-19-15(16)17/h3-6,11H,2,7-10,12H2,1H3,(H4,16,17,19).
What are the key properties of 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine?
2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine has a molecular weight of 288.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).