N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride

C10H17Cl2N3 — CID 2733515

IUPACN'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride
SMILESC/C(N)=N\Cc1cccc(CN)c1.Cl.Cl
InChIInChI=1S/C10H15N3.2ClH/c1-8(12)13-7-10-4-2-3-9(5-10)6-11;;/h2-5H,6-7,11H2,1H3,(H2,12,13);2*1H
InChIKeyWDJHSQZCZGPGAA-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.87
Rot. Bonds3

About N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride

N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride (PubChem CID 2733515) has the molecular formula C10H17Cl2N3 and a molecular weight of 250.17 g/mol. Its IUPAC name is N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride
PubChem CID2733515
Molecular FormulaC10H17Cl2N3
Molecular Weight250.17 g/mol
Exact Mass249.08
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride
SMILESC/C(N)=N\Cc1cccc(CN)c1.Cl.Cl
InChIInChI=1S/C10H15N3.2ClH/c1-8(12)13-7-10-4-2-3-9(5-10)6-11;;/h2-5H,6-7,11H2,1H3,(H2,12,13);2*1H
InChIKeyWDJHSQZCZGPGAA-UHFFFAOYSA-N
XLogP1.87
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.87
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'}

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Related Compounds

N-(3-(aminomethyl)benzyl)acetamidine
CID 1433
N-(Phenylmethyl)guanidine
CID 16644
N'-benzhydrylethanimidamide;hydrobromide
CID 50899558
3-(Aminomethyl)benzimidamide
CID 2756472
N-Benzylacetamidine Hydrobromide
CID 25231659
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
n-Benzylacetamidine
CID 445678
(E)-N-Benzyl-3-phenyl-acrylamidine
CID 9878031
(E)-N'-benzyl-3-cyclohexylprop-2-enimidamide
CID 9899581
1-Benzylguanidine hydrochloride
CID 11240874
N'-(1-phenylpropyl)ethanimidamide;hydrobromide
CID 25231660
5-[(3-Methylphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44344983

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride?
The IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride (CID 2733515) is N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride.
What is the SMILES notation for N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride?
The canonical SMILES for N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride is C/C(N)=N\Cc1cccc(CN)c1.Cl.Cl.
What is the InChIKey of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride?
The InChIKey is WDJHSQZCZGPGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.2ClH/c1-8(12)13-7-10-4-2-3-9(5-10)6-11;;/h2-5H,6-7,11H2,1H3,(H2,12,13);2*1H.
What are the key properties of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride?
N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride has a molecular weight of 250.17 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride is sourced from PubChem (CID 2733515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).