2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine

C16H27N5 — CID 87880623

IUPAC2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine
SMILESCCCCN(CCCC)c1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C16H27N5/c1-3-5-11-21(12-6-4-2)15-9-7-14(8-10-15)13-19-20-16(17)18/h7-10,13H,3-6,11-12H2,1-2H3,(H4,17,18,20)/b19-13+
InChIKeyLWIINMLWENIQSB-CPNJWEJPSA-N
MW289.43 g/mol
LogP2.70
Rot. Bonds9

About 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine

2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine (PubChem CID 87880623) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine
PubChem CID87880623
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine
SMILESCCCCN(CCCC)c1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C16H27N5/c1-3-5-11-21(12-6-4-2)15-9-7-14(8-10-15)13-19-20-16(17)18/h7-10,13H,3-6,11-12H2,1-2H3,(H4,17,18,20)/b19-13+
InChIKeyLWIINMLWENIQSB-CPNJWEJPSA-N
XLogP2.70
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.70
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'}

Analyze 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutyl-4-methanehydrazonoylaniline
CID 168529188
benzyl N'-[[4-(dibutylamino)phenyl]methylideneamino]carbamimidothioate
CID 168611325
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
2,3-bis[[4-(dibutylamino)phenyl]methylideneamino]but-2-enedinitrile
CID 71374741
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine
CID 168591834
4-(dibutylamino)benzaldehyde
CID 605391
2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine
CID 168590771
N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647559
benzyl N'-[[4-(N-butylanilino)phenyl]methylideneamino]carbamimidothioate
CID 168611322
2-[(3-butoxy-4-methylphenyl)methylideneamino]guanidine
CID 168590671

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine (CID 87880623) is 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine is CCCCN(CCCC)c1ccc(/C=N/N=C(N)N)cc1.
What is the InChIKey of 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine?
The InChIKey is LWIINMLWENIQSB-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-5-11-21(12-6-4-2)15-9-7-14(8-10-15)13-19-20-16(17)18/h7-10,13H,3-6,11-12H2,1-2H3,(H4,17,18,20)/b19-13+.
What are the key properties of 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine?
2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine has a molecular weight of 289.43 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 87880623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).