2-(3-phenylpropylideneamino)guanidine

C10H14N4 — CID 5053229

IUPAC2-(3-phenylpropylideneamino)guanidine
SMILESNC(N)=NN=CCCc1ccccc1
InChIInChI=1S/C10H14N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H4,11,12,14)
InChIKeyFLUHNUBJGRDBLZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.88
Rot. Bonds4

About 2-(3-phenylpropylideneamino)guanidine

2-(3-phenylpropylideneamino)guanidine (PubChem CID 5053229) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(3-phenylpropylideneamino)guanidine.

Molecular Properties

Compound Name2-(3-phenylpropylideneamino)guanidine
PubChem CID5053229
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(3-phenylpropylideneamino)guanidine
SMILESNC(N)=NN=CCCc1ccccc1
InChIInChI=1S/C10H14N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H4,11,12,14)
InChIKeyFLUHNUBJGRDBLZ-UHFFFAOYSA-N
XLogP0.88
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.88
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-[3-[1-(4-chlorophenyl)-5-(2-phenylethyl)pyrrol-3-yl]propylideneamino]guanidine
CID 69343804
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
(2S)-4-[4-[3-(diaminomethylidenehydrazinylidene)propyl]phenoxy]-2-(phenylmethoxycarbonylamino)butanoic acid
CID 57021173
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
methyl N'-(2-phenylethylideneamino)carbamimidothioate
CID 158206951
N-methoxy-3-phenylpropan-1-imine
CID 73200493
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
pent-3-enylbenzene
CID 519421
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
4-chloropent-3-enylbenzene
CID 71383765

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylideneamino)guanidine?
The IUPAC name of 2-(3-phenylpropylideneamino)guanidine (CID 5053229) is 2-(3-phenylpropylideneamino)guanidine.
What is the SMILES notation for 2-(3-phenylpropylideneamino)guanidine?
The canonical SMILES for 2-(3-phenylpropylideneamino)guanidine is NC(N)=NN=CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropylideneamino)guanidine?
The InChIKey is FLUHNUBJGRDBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H4,11,12,14).
What are the key properties of 2-(3-phenylpropylideneamino)guanidine?
2-(3-phenylpropylideneamino)guanidine has a molecular weight of 190.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylideneamino)guanidine is sourced from PubChem (CID 5053229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).