formyl chloride;2-methylpropan-2-amine

C5H12ClNO — CID 175033696

IUPACformyl chloride;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=CCl
InChIInChI=1S/C4H11N.CHClO/c1-4(2,3)5;2-1-3/h5H2,1-3H3;1H
InChIKeyBAXPYDNVSPHXHO-UHFFFAOYSA-N
MW137.61 g/mol
LogP1.16
Rot. Bonds

About formyl chloride;2-methylpropan-2-amine

formyl chloride;2-methylpropan-2-amine (PubChem CID 175033696) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is formyl chloride;2-methylpropan-2-amine.

Molecular Properties

Compound Nameformyl chloride;2-methylpropan-2-amine
PubChem CID175033696
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Nameformyl chloride;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=CCl
InChIInChI=1S/C4H11N.CHClO/c1-4(2,3)5;2-1-3/h5H2,1-3H3;1H
InChIKeyBAXPYDNVSPHXHO-UHFFFAOYSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175795972
CID 175795972
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
ethane;2-methylpropan-2-amine
CID 142052554
formyl chloride;N-methylmethanamine
CID 159076445
formyl chloride;propane
CID 160862767
(2R)-2-amino-2,3,3-trimethylbutanal
CID 57152253
magnesium;2-methylpropan-2-amine;dibromide
CID 175491555
2,2-dimethylpropanal;methanamine
CID 54475082
N-(2-amino-2-methylpropyl)-N-chloroformamide
CID 174612527
bis(2-methylpropan-2-amine);propane
CID 160822364
methanethione;2-methylpropan-2-amine
CID 167458239

Frequently Asked Questions

What is the IUPAC name of formyl chloride;2-methylpropan-2-amine?
The IUPAC name of formyl chloride;2-methylpropan-2-amine (CID 175033696) is formyl chloride;2-methylpropan-2-amine.
What is the SMILES notation for formyl chloride;2-methylpropan-2-amine?
The canonical SMILES for formyl chloride;2-methylpropan-2-amine is CC(C)(C)N.O=CCl.
What is the InChIKey of formyl chloride;2-methylpropan-2-amine?
The InChIKey is BAXPYDNVSPHXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CHClO/c1-4(2,3)5;2-1-3/h5H2,1-3H3;1H.
What are the key properties of formyl chloride;2-methylpropan-2-amine?
formyl chloride;2-methylpropan-2-amine has a molecular weight of 137.61 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;2-methylpropan-2-amine is sourced from PubChem (CID 175033696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).