2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine

C10H16N6 — CID 15511140

IUPAC2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine
SMILESCN(C)c1ccc(N)cc1/C=N/N=C(N)N
InChIInChI=1S/C10H16N6/c1-16(2)9-4-3-8(11)5-7(9)6-14-15-10(12)13/h3-6H,11H2,1-2H3,(H4,12,13,15)/b14-6+
InChIKeyQKSLWDQCVQWWNS-MKMNVTDBSA-N
MW220.28 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine

2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine (PubChem CID 15511140) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine
PubChem CID15511140
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine
SMILESCN(C)c1ccc(N)cc1/C=N/N=C(N)N
InChIInChI=1S/C10H16N6/c1-16(2)9-4-3-8(11)5-7(9)6-14-15-10(12)13/h3-6H,11H2,1-2H3,(H4,12,13,15)/b14-6+
InChIKeyQKSLWDQCVQWWNS-MKMNVTDBSA-N
XLogP-0.06
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine (CID 15511140) is 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine is CN(C)c1ccc(N)cc1/C=N/N=C(N)N.
What is the InChIKey of 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine?
The InChIKey is QKSLWDQCVQWWNS-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H16N6/c1-16(2)9-4-3-8(11)5-7(9)6-14-15-10(12)13/h3-6H,11H2,1-2H3,(H4,12,13,15)/b14-6+.
What are the key properties of 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine?
2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine has a molecular weight of 220.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-amino-2-(dimethylamino)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 15511140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).