(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane

C5H14ClN2O+ — CID 143623882

IUPAC(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
SMILESCC(C)([NH3+])C(N)=O.CCl
InChIInChI=1S/C4H10N2O.CH3Cl/c1-4(2,6)3(5)7;1-2/h6H2,1-2H3,(H2,5,7);1H3/p+1
InChIKeyARPVMFWGCCRRJD-UHFFFAOYSA-O
MW153.63 g/mol
LogP-0.65
Rot. Bonds1

About (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane

(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane (PubChem CID 143623882) has the molecular formula C5H14ClN2O+ and a molecular weight of 153.63 g/mol. Its IUPAC name is (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane.

Molecular Properties

Compound Name(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
PubChem CID143623882
Molecular FormulaC5H14ClN2O+
Molecular Weight153.63 g/mol
Exact Mass153.08
IUPAC Name(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
SMILESCC(C)([NH3+])C(N)=O.CCl
InChIInChI=1S/C4H10N2O.CH3Cl/c1-4(2,6)3(5)7;1-2/h6H2,1-2H3,(H2,5,7);1H3/p+1
InChIKeyARPVMFWGCCRRJD-UHFFFAOYSA-O
XLogP-0.65
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane?
The IUPAC name of (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane (CID 143623882) is (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane.
What is the SMILES notation for (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane?
The canonical SMILES for (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane is CC(C)([NH3+])C(N)=O.CCl.
What is the InChIKey of (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane?
The InChIKey is ARPVMFWGCCRRJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O.CH3Cl/c1-4(2,6)3(5)7;1-2/h6H2,1-2H3,(H2,5,7);1H3/p+1.
What are the key properties of (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane?
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane has a molecular weight of 153.63 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane is sourced from PubChem (CID 143623882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).