N-(2-chloroethyl)-N-methyloxan-4-amine

C8H16ClNO — CID 61288159

IUPACN-(2-chloroethyl)-N-methyloxan-4-amine
SMILESCN(CCCl)C1CCOCC1
InChIInChI=1S/C8H16ClNO/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-7H2,1H3
InChIKeySATJQMMJVLSBJE-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds3

About N-(2-chloroethyl)-N-methyloxan-4-amine

N-(2-chloroethyl)-N-methyloxan-4-amine (PubChem CID 61288159) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyloxan-4-amine
PubChem CID61288159
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(2-chloroethyl)-N-methyloxan-4-amine
SMILESCN(CCCl)C1CCOCC1
InChIInChI=1S/C8H16ClNO/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-7H2,1H3
InChIKeySATJQMMJVLSBJE-UHFFFAOYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2-chloroethyl)-N-methyloxan-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-methyloxan-4-amine (CID 61288159) is N-(2-chloroethyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-methyloxan-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-methyloxan-4-amine is CN(CCCl)C1CCOCC1.
What is the InChIKey of N-(2-chloroethyl)-N-methyloxan-4-amine?
The InChIKey is SATJQMMJVLSBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyloxan-4-amine?
N-(2-chloroethyl)-N-methyloxan-4-amine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyloxan-4-amine is sourced from PubChem (CID 61288159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).