4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride

C9H15Cl2N3 — CID 70294234

IUPAC4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(CCN)cc1
InChIInChI=1S/C9H13N3.2ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;;/h1-4H,5-6,10H2,(H3,11,12);2*1H
InChIKeyUFNTYBIMGSAXAW-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.32
Rot. Bonds3

About 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride

4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride (PubChem CID 70294234) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
PubChem CID70294234
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(CCN)cc1
InChIInChI=1S/C9H13N3.2ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;;/h1-4H,5-6,10H2,(H3,11,12);2*1H
InChIKeyUFNTYBIMGSAXAW-UHFFFAOYSA-N
XLogP1.32
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-prop-2-enylbenzenecarboximidamide
CID 67813760
methyl 3-(4-carbamimidoylphenyl)propanoate;hydrochloride
CID 19376397
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride (CID 70294234) is 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride?
The InChIKey is UFNTYBIMGSAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;;/h1-4H,5-6,10H2,(H3,11,12);2*1H.
What are the key properties of 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride?
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 70294234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).