2-chloro-N-ethyl-N-oxidopropan-1-amine

C5H11ClNO- — CID 175444900

IUPAC2-chloro-N-ethyl-N-oxidopropan-1-amine
SMILESCCN([O-])CC(C)Cl
InChIInChI=1S/C5H11ClNO/c1-3-7(8)4-5(2)6/h5H,3-4H2,1-2H3/q-1
InChIKeyHKAXQOGZDVXMIW-UHFFFAOYSA-N
MW136.60 g/mol
LogP1.43
Rot. Bonds3

About 2-chloro-N-ethyl-N-oxidopropan-1-amine

2-chloro-N-ethyl-N-oxidopropan-1-amine (PubChem CID 175444900) has the molecular formula C5H11ClNO- and a molecular weight of 136.60 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-oxidopropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-oxidopropan-1-amine
PubChem CID175444900
Molecular FormulaC5H11ClNO-
Molecular Weight136.60 g/mol
Exact Mass136.05
IUPAC Name2-chloro-N-ethyl-N-oxidopropan-1-amine
SMILESCCN([O-])CC(C)Cl
InChIInChI=1S/C5H11ClNO/c1-3-7(8)4-5(2)6/h5H,3-4H2,1-2H3/q-1
InChIKeyHKAXQOGZDVXMIW-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.60
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-chloropropyl)-N-methyldecan-1-amine
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2-[bis(2-chloropropyl)amino]-3-hydroxypropanoic acid
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methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-oxidopropan-1-amine?
The IUPAC name of 2-chloro-N-ethyl-N-oxidopropan-1-amine (CID 175444900) is 2-chloro-N-ethyl-N-oxidopropan-1-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-oxidopropan-1-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-oxidopropan-1-amine is CCN([O-])CC(C)Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-oxidopropan-1-amine?
The InChIKey is HKAXQOGZDVXMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClNO/c1-3-7(8)4-5(2)6/h5H,3-4H2,1-2H3/q-1.
What are the key properties of 2-chloro-N-ethyl-N-oxidopropan-1-amine?
2-chloro-N-ethyl-N-oxidopropan-1-amine has a molecular weight of 136.60 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-oxidopropan-1-amine is sourced from PubChem (CID 175444900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).