(tert-butylamino)methylidene-methylazanium

C6H15N2+ — CID 101039433

IUPAC(tert-butylamino)methylidene-methylazanium
SMILESC/[NH+]=C/NC(C)(C)C
InChIInChI=1S/C6H14N2/c1-6(2,3)8-5-7-4/h5H,1-4H3,(H,7,8)/p+1
InChIKeyACIQGGDJEYGLKZ-UHFFFAOYSA-O
MW115.20 g/mol
LogP-0.89
Rot. Bonds1

About (tert-butylamino)methylidene-methylazanium

(tert-butylamino)methylidene-methylazanium (PubChem CID 101039433) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is (tert-butylamino)methylidene-methylazanium.

Molecular Properties

Compound Name(tert-butylamino)methylidene-methylazanium
PubChem CID101039433
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Name(tert-butylamino)methylidene-methylazanium
SMILESC/[NH+]=C/NC(C)(C)C
InChIInChI=1S/C6H14N2/c1-6(2,3)8-5-7-4/h5H,1-4H3,(H,7,8)/p+1
InChIKeyACIQGGDJEYGLKZ-UHFFFAOYSA-O
XLogP-0.89
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 5-0.89
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

lithium;(E)-N,N'-ditert-butylethene-1,2-diamine;hydride
CID 173171316
N-tert-butylformamide;ethane
CID 142078215
(E)-N'-tert-butyl-N-methylethene-1,2-diamine
CID 102011692
(1Z)-N-tert-butyl-2-methylbuta-1,3-dien-1-amine
CID 169228659
(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine
CID 15356803
N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide
CID 55299864
(Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine
CID 145320928
[amino-(tert-butylamino)methylidene]-methylazanium
CID 58320176
4-(tert-butylamino)but-3-enamide
CID 123960253
N,2-dimethylpropan-2-amine;bis(N-methylmethanamine)
CID 170750013
(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
CID 23591129
N-(1,1-dihydroxyethyl)formamide
CID 87394549

Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)methylidene-methylazanium?
The IUPAC name of (tert-butylamino)methylidene-methylazanium (CID 101039433) is (tert-butylamino)methylidene-methylazanium.
What is the SMILES notation for (tert-butylamino)methylidene-methylazanium?
The canonical SMILES for (tert-butylamino)methylidene-methylazanium is C/[NH+]=C/NC(C)(C)C.
What is the InChIKey of (tert-butylamino)methylidene-methylazanium?
The InChIKey is ACIQGGDJEYGLKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2/c1-6(2,3)8-5-7-4/h5H,1-4H3,(H,7,8)/p+1.
What are the key properties of (tert-butylamino)methylidene-methylazanium?
(tert-butylamino)methylidene-methylazanium has a molecular weight of 115.20 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)methylidene-methylazanium is sourced from PubChem (CID 101039433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).