2-(3-phenylpropyl)guanidine;hydrochloride

C10H16ClN3 — CID 141469420

IUPAC2-(3-phenylpropyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCCc1ccccc1
InChIInChI=1S/C10H15N3.ClH/c11-10(12)13-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H4,11,12,13);1H
InChIKeyIIAXKGQFGWLQNK-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.31
Rot. Bonds4

About 2-(3-phenylpropyl)guanidine;hydrochloride

2-(3-phenylpropyl)guanidine;hydrochloride (PubChem CID 141469420) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(3-phenylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(3-phenylpropyl)guanidine;hydrochloride
PubChem CID141469420
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-(3-phenylpropyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCCc1ccccc1
InChIInChI=1S/C10H15N3.ClH/c11-10(12)13-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H4,11,12,13);1H
InChIKeyIIAXKGQFGWLQNK-UHFFFAOYSA-N
XLogP1.31
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-phenylpropyl)propanimidamide
CID 62049417
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629
N'-(3-phenylpropyl)cyclohexanecarboximidamide
CID 63175493
2-amino-5-(diaminomethylideneamino)pentanoic acid;4-phenylbutanoic acid
CID 11371163
2-[4-(4-fluorophenyl)butyl]guanidine
CID 95440579
N'-(3-phenylpropyl)imidazole-1-carboximidamide
CID 11128056
2-[4-(3-phenylmethoxyphenyl)butyl]guanidine
CID 158768740
5-(diaminomethylideneamino)-2-(3-phenylpropanoylamino)pentanoic acid
CID 142026144
4-phenylbutylbenzene
CID 141301927
benzyl 6-(diaminomethylideneamino)hexanoate
CID 139715131

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)guanidine;hydrochloride?
The IUPAC name of 2-(3-phenylpropyl)guanidine;hydrochloride (CID 141469420) is 2-(3-phenylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(3-phenylpropyl)guanidine;hydrochloride?
The canonical SMILES for 2-(3-phenylpropyl)guanidine;hydrochloride is Cl.NC(N)=NCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)guanidine;hydrochloride?
The InChIKey is IIAXKGQFGWLQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.ClH/c11-10(12)13-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H4,11,12,13);1H.
What are the key properties of 2-(3-phenylpropyl)guanidine;hydrochloride?
2-(3-phenylpropyl)guanidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 141469420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).