[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin

C15H25N3Sn — CID 141360208

IUPAC[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin
SMILESCCC(CC)(CC)[Sn]c1ccc(CN=C(N)N)cc1
InChIInChI=1S/C8H10N3.C7H15.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3;/h2-5H,6H2,(H4,9,10,11);4-6H2,1-3H3;
InChIKeyBFIJKNHGYKEXDV-UHFFFAOYSA-N
MW366.10 g/mol
LogP2.18
Rot. Bonds7

About [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin

[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin (PubChem CID 141360208) has the molecular formula C15H25N3Sn and a molecular weight of 366.10 g/mol. Its IUPAC name is [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin.

Molecular Properties

Compound Name[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin
PubChem CID141360208
Molecular FormulaC15H25N3Sn
Molecular Weight366.10 g/mol
Exact Mass367.11
IUPAC Name[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin
SMILESCCC(CC)(CC)[Sn]c1ccc(CN=C(N)N)cc1
InChIInChI=1S/C8H10N3.C7H15.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3;/h2-5H,6H2,(H4,9,10,11);4-6H2,1-3H3;
InChIKeyBFIJKNHGYKEXDV-UHFFFAOYSA-N
XLogP2.18
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 52.18
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-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
4-[(diaminomethylideneamino)methyl]-N-(3-ethylphenyl)benzamide
CID 70420716
methyl 4-[(diaminomethylideneamino)methyl]benzoate;dihydrate
CID 66622428
2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 139746208
N-[4-[(diaminomethylideneamino)methyl]phenyl]-2-methylpropanamide
CID 110914570
bis(2-[(4-aminophenyl)methyl]guanidine);2,2,2-trifluoroacetic acid
CID 175843343
cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin
CID 142886126
4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide
CID 14211292
N'-[[4-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63174113
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
2-[[4-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 110913273
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334

Frequently Asked Questions

What is the IUPAC name of [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin?
The IUPAC name of [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin (CID 141360208) is [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin.
What is the SMILES notation for [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin?
The canonical SMILES for [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin is CCC(CC)(CC)[Sn]c1ccc(CN=C(N)N)cc1.
What is the InChIKey of [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin?
The InChIKey is BFIJKNHGYKEXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3.C7H15.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3;/h2-5H,6H2,(H4,9,10,11);4-6H2,1-3H3;.
What are the key properties of [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin?
[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin has a molecular weight of 366.10 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin is sourced from PubChem (CID 141360208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).