[amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium

C12H20N4+2 — CID 6346939

IUPAC[amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium
SMILESCC(C)(C)c1ccc(C(N)=[NH2+])c(C(N)=[NH2+])c1
InChIInChI=1S/C12H18N4/c1-12(2,3)7-4-5-8(10(13)14)9(6-7)11(15)16/h4-6H,1-3H3,(H3,13,14)(H3,15,16)/p+2
InChIKeyQOJNJTRSTOHDQX-UHFFFAOYSA-P
MW220.32 g/mol
LogP-2.09
Rot. Bonds2

About [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium

[amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium (PubChem CID 6346939) has the molecular formula C12H20N4+2 and a molecular weight of 220.32 g/mol. Its IUPAC name is [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium
PubChem CID6346939
Molecular FormulaC12H20N4+2
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium
SMILESCC(C)(C)c1ccc(C(N)=[NH2+])c(C(N)=[NH2+])c1
InChIInChI=1S/C12H18N4/c1-12(2,3)7-4-5-8(10(13)14)9(6-7)11(15)16/h4-6H,1-3H3,(H3,13,14)(H3,15,16)/p+2
InChIKeyQOJNJTRSTOHDQX-UHFFFAOYSA-P
XLogP-2.09
TPSA103.22 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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

5-tert-butyl-2-methylbenzenecarbothioamide
CID 82077580
[amino-(4-tert-butylphenyl)methylidene]azanium
CID 6346947
4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide
CID 22177478
2-(aminomethyl)-5-tert-butylbenzamide
CID 140516367
1,2-bis(2-amino-5-tert-butylphenyl)ethane-1,2-dione
CID 141464384
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
2-benzoyl-4-tert-butylbenzoic acid
CID 3106283
5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide
CID 116827761
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
alumane;1,3-ditert-butylbenzene
CID 174392215
4-tert-butyl-2-(4-carboxybenzoyl)benzoic acid
CID 919103

Frequently Asked Questions

What is the IUPAC name of [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium?
The IUPAC name of [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium (CID 6346939) is [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium.
What is the SMILES notation for [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium?
The canonical SMILES for [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium is CC(C)(C)c1ccc(C(N)=[NH2+])c(C(N)=[NH2+])c1.
What is the InChIKey of [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium?
The InChIKey is QOJNJTRSTOHDQX-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H18N4/c1-12(2,3)7-4-5-8(10(13)14)9(6-7)11(15)16/h4-6H,1-3H3,(H3,13,14)(H3,15,16)/p+2.
What are the key properties of [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium?
[amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium has a molecular weight of 220.32 g/mol, XLogP of -2.09, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-[amino(azaniumylidene)methyl]-4-tert-butylphenyl]methylidene]azanium is sourced from PubChem (CID 6346939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).