2-[1-(3-chlorophenyl)propylideneamino]guanidine

C10H13ClN4 — CID 76872531

IUPAC2-[1-(3-chlorophenyl)propylideneamino]guanidine
SMILESCCC(=NN=C(N)N)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClN4/c1-2-9(14-15-10(12)13)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H4,12,13,15)
InChIKeyQECOFWQDYPGHQN-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(3-chlorophenyl)propylideneamino]guanidine

2-[1-(3-chlorophenyl)propylideneamino]guanidine (PubChem CID 76872531) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propylideneamino]guanidine
PubChem CID76872531
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name2-[1-(3-chlorophenyl)propylideneamino]guanidine
SMILESCCC(=NN=C(N)N)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClN4/c1-2-9(14-15-10(12)13)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H4,12,13,15)
InChIKeyQECOFWQDYPGHQN-UHFFFAOYSA-N
XLogP1.73
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-(4-hydroxyphenyl)propylideneamino]guanidine
CID 3526910
2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine
CID 24987783
(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
CID 89317369
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
2-(1-phenylbutylideneamino)guanidine
CID 76872532
2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
CID 6063002

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propylideneamino]guanidine?
The IUPAC name of 2-[1-(3-chlorophenyl)propylideneamino]guanidine (CID 76872531) is 2-[1-(3-chlorophenyl)propylideneamino]guanidine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propylideneamino]guanidine?
The canonical SMILES for 2-[1-(3-chlorophenyl)propylideneamino]guanidine is CCC(=NN=C(N)N)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propylideneamino]guanidine?
The InChIKey is QECOFWQDYPGHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-2-9(14-15-10(12)13)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H4,12,13,15).
What are the key properties of 2-[1-(3-chlorophenyl)propylideneamino]guanidine?
2-[1-(3-chlorophenyl)propylideneamino]guanidine has a molecular weight of 224.70 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propylideneamino]guanidine is sourced from PubChem (CID 76872531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).