[N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride

C11H19Cl2N3Sn — CID 160823981

IUPAC[N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride
SMILESCCC[Sn]/C(N)=N\c1cccc(CN)c1.Cl.Cl
InChIInChI=1S/C8H10N3.C3H7.2ClH.Sn/c9-5-7-2-1-3-8(4-7)11-6-10;1-3-2;;;/h1-4H,5,9H2,(H2,10,11);1,3H2,2H3;2*1H;
InChIKeyACSCZOFPFVNRJH-UHFFFAOYSA-N
MW382.91 g/mol
LogP2.47
Rot. Bonds5

About [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride

[N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride (PubChem CID 160823981) has the molecular formula C11H19Cl2N3Sn and a molecular weight of 382.91 g/mol. Its IUPAC name is [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride.

Molecular Properties

Compound Name[N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride
PubChem CID160823981
Molecular FormulaC11H19Cl2N3Sn
Molecular Weight382.91 g/mol
Exact Mass383.00
IUPAC Name[N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride
SMILESCCC[Sn]/C(N)=N\c1cccc(CN)c1.Cl.Cl
InChIInChI=1S/C8H10N3.C3H7.2ClH.Sn/c9-5-7-2-1-3-8(4-7)11-6-10;1-3-2;;;/h1-4H,5,9H2,(H2,10,11);1,3H2,2H3;2*1H;
InChIKeyACSCZOFPFVNRJH-UHFFFAOYSA-N
XLogP2.47
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.47
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)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
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CID 45261228
N'-[3-(aminomethyl)phenyl]-2-methylsulfanylbutanimidamide
CID 139762259
[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine
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N'-[3-(aminomethyl)phenyl]thiolane-2-carboximidamide
CID 139762243
N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
CID 45261184
(3-azidophenyl)methanamine
CID 21438660
2-[3-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine;hydrochloride
CID 90644414
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
1-N'-(3-ethylphenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 118983783
2-[3-(2-hydroxyethyl)phenyl]guanidine
CID 18516973

Frequently Asked Questions

What is the IUPAC name of [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride?
The IUPAC name of [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride (CID 160823981) is [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride.
What is the SMILES notation for [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride?
The canonical SMILES for [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride is CCC[Sn]/C(N)=N\c1cccc(CN)c1.Cl.Cl.
What is the InChIKey of [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride?
The InChIKey is ACSCZOFPFVNRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3.C3H7.2ClH.Sn/c9-5-7-2-1-3-8(4-7)11-6-10;1-3-2;;;/h1-4H,5,9H2,(H2,10,11);1,3H2,2H3;2*1H;.
What are the key properties of [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride?
[N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride has a molecular weight of 382.91 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride is sourced from PubChem (CID 160823981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).