[amino-(4-tert-butylphenyl)methylidene]azanium

C11H17N2+ — CID 6346947

IUPAC[amino-(4-tert-butylphenyl)methylidene]azanium
SMILESCC(C)(C)c1ccc(C(N)=[NH2+])cc1
InChIInChI=1S/C11H16N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H3,12,13)/p+1
InChIKeyNFNSHLXROFMSCN-UHFFFAOYSA-O
MW177.27 g/mol
LogP0.45
Rot. Bonds1

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

[amino-(4-tert-butylphenyl)methylidene]azanium (PubChem CID 6346947) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is [amino-(4-tert-butylphenyl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(4-tert-butylphenyl)methylidene]azanium
PubChem CID6346947
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name[amino-(4-tert-butylphenyl)methylidene]azanium
SMILESCC(C)(C)c1ccc(C(N)=[NH2+])cc1
InChIInChI=1S/C11H16N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H3,12,13)/p+1
InChIKeyNFNSHLXROFMSCN-UHFFFAOYSA-O
XLogP0.45
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
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

4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
CID 15471929
CID 157428380
CID 157428380
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842
magnesium 4-tert-butylbenzoate
CID 21117899
CID 175176965
CID 175176965
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757

Frequently Asked Questions

What is the IUPAC name of [amino-(4-tert-butylphenyl)methylidene]azanium?
The IUPAC name of [amino-(4-tert-butylphenyl)methylidene]azanium (CID 6346947) is [amino-(4-tert-butylphenyl)methylidene]azanium.
What is the SMILES notation for [amino-(4-tert-butylphenyl)methylidene]azanium?
The canonical SMILES for [amino-(4-tert-butylphenyl)methylidene]azanium is CC(C)(C)c1ccc(C(N)=[NH2+])cc1.
What is the InChIKey of [amino-(4-tert-butylphenyl)methylidene]azanium?
The InChIKey is NFNSHLXROFMSCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H3,12,13)/p+1.
What are the key properties of [amino-(4-tert-butylphenyl)methylidene]azanium?
[amino-(4-tert-butylphenyl)methylidene]azanium has a molecular weight of 177.27 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-tert-butylphenyl)methylidene]azanium is sourced from PubChem (CID 6346947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).