N-(2-amino-2-methylpropyl)-N-chloroformamide

C5H11ClN2O — CID 174612527

IUPACN-(2-amino-2-methylpropyl)-N-chloroformamide
SMILESCC(C)(N)CN(Cl)C=O
InChIInChI=1S/C5H11ClN2O/c1-5(2,7)3-8(6)4-9/h4H,3,7H2,1-2H3
InChIKeyRFKHQNQKDVZTMR-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.34
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-N-chloroformamide

N-(2-amino-2-methylpropyl)-N-chloroformamide (PubChem CID 174612527) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-N-chloroformamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-N-chloroformamide
PubChem CID174612527
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC NameN-(2-amino-2-methylpropyl)-N-chloroformamide
SMILESCC(C)(N)CN(Cl)C=O
InChIInChI=1S/C5H11ClN2O/c1-5(2,7)3-8(6)4-9/h4H,3,7H2,1-2H3
InChIKeyRFKHQNQKDVZTMR-UHFFFAOYSA-N
XLogP0.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-N-chloroformamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-N-chloroformamide (CID 174612527) is N-(2-amino-2-methylpropyl)-N-chloroformamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-N-chloroformamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-N-chloroformamide is CC(C)(N)CN(Cl)C=O.
What is the InChIKey of N-(2-amino-2-methylpropyl)-N-chloroformamide?
The InChIKey is RFKHQNQKDVZTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O/c1-5(2,7)3-8(6)4-9/h4H,3,7H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-N-chloroformamide?
N-(2-amino-2-methylpropyl)-N-chloroformamide has a molecular weight of 150.61 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-N-chloroformamide is sourced from PubChem (CID 174612527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).