2,2,4,4-tetramethylpentan-3-ylideneazanium

C9H20N+ — CID 7019373

IUPAC2,2,4,4-tetramethylpentan-3-ylideneazanium
SMILESCC(C)(C)C(=[NH2+])C(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3/p+1
InChIKeyVCMKYJMEMATQPE-UHFFFAOYSA-O
MW142.27 g/mol
LogP1.28
Rot. Bonds

About 2,2,4,4-tetramethylpentan-3-ylideneazanium

2,2,4,4-tetramethylpentan-3-ylideneazanium (PubChem CID 7019373) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentan-3-ylideneazanium.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentan-3-ylideneazanium
PubChem CID7019373
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name2,2,4,4-tetramethylpentan-3-ylideneazanium
SMILESCC(C)(C)C(=[NH2+])C(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3/p+1
InChIKeyVCMKYJMEMATQPE-UHFFFAOYSA-O
XLogP1.28
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4-Tetramethyl-3-pentanone Imine
CID 2755632
Di-tert-butyl ketone hydrazone
CID 638162
Di-t-butylethanediimine
CID 21281613
Lithium di-t-butylmethyleneamide
CID 101048200
1-Isopropyl-2,2-dimethylpropylideneamine
CID 550754
N-fluoro-2,2,4,4-tetramethylpentan-3-imine
CID 23235944
3,3-Dimethylhexan-2-imine
CID 12754201
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-methylpentan-2-imine
CID 12754203
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
2,2-Dimethylhexan-3-imine
CID 20702621

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentan-3-ylideneazanium?
The IUPAC name of 2,2,4,4-tetramethylpentan-3-ylideneazanium (CID 7019373) is 2,2,4,4-tetramethylpentan-3-ylideneazanium.
What is the SMILES notation for 2,2,4,4-tetramethylpentan-3-ylideneazanium?
The canonical SMILES for 2,2,4,4-tetramethylpentan-3-ylideneazanium is CC(C)(C)C(=[NH2+])C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethylpentan-3-ylideneazanium?
The InChIKey is VCMKYJMEMATQPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3/p+1.
What are the key properties of 2,2,4,4-tetramethylpentan-3-ylideneazanium?
2,2,4,4-tetramethylpentan-3-ylideneazanium has a molecular weight of 142.27 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentan-3-ylideneazanium is sourced from PubChem (CID 7019373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).