cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin

C13H19N3Sn — CID 142886126

IUPACcyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin
SMILESNC(N)=NCc1cccc([Sn]C2CCCC2)c1
InChIInChI=1S/C8H10N3.C5H9.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h1-2,4-5H,6H2,(H4,9,10,11);1H,2-5H2;
InChIKeyQMLSALQJLFOGSD-UHFFFAOYSA-N
MW336.03 g/mol
LogP1.15
Rot. Bonds4

About cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin

cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin (PubChem CID 142886126) has the molecular formula C13H19N3Sn and a molecular weight of 336.03 g/mol. Its IUPAC name is cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin.

Molecular Properties

Compound Namecyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin
PubChem CID142886126
Molecular FormulaC13H19N3Sn
Molecular Weight336.03 g/mol
Exact Mass337.06
IUPAC Namecyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin
SMILESNC(N)=NCc1cccc([Sn]C2CCCC2)c1
InChIInChI=1S/C8H10N3.C5H9.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h1-2,4-5H,6H2,(H4,9,10,11);1H,2-5H2;
InChIKeyQMLSALQJLFOGSD-UHFFFAOYSA-N
XLogP1.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-benzylguanidine;bis(tricyclohexylphosphane)
CID 158132606
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110915389
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide
CID 63175813
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin
CID 141360208
bis(2-[(3-methoxyphenyl)methyl]guanidine);sulfuric acid
CID 43810780
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin?
The IUPAC name of cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin (CID 142886126) is cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin.
What is the SMILES notation for cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin?
The canonical SMILES for cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin is NC(N)=NCc1cccc([Sn]C2CCCC2)c1.
What is the InChIKey of cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin?
The InChIKey is QMLSALQJLFOGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3.C5H9.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h1-2,4-5H,6H2,(H4,9,10,11);1H,2-5H2;.
What are the key properties of cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin?
cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin has a molecular weight of 336.03 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin is sourced from PubChem (CID 142886126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).