N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine

C10H18ClNO — CID 77051179

IUPACN-(4-chlorobut-2-enyl)-N-methyloxan-4-amine
SMILESCN(CC=CCCl)C1CCOCC1
InChIInChI=1S/C10H18ClNO/c1-12(7-3-2-6-11)10-4-8-13-9-5-10/h2-3,10H,4-9H2,1H3
InChIKeyDWQXFYJBXKEHKB-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds4

About N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine

N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine (PubChem CID 77051179) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-(4-chlorobut-2-enyl)-N-methyloxan-4-amine
PubChem CID77051179
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(4-chlorobut-2-enyl)-N-methyloxan-4-amine
SMILESCN(CC=CCCl)C1CCOCC1
InChIInChI=1S/C10H18ClNO/c1-12(7-3-2-6-11)10-4-8-13-9-5-10/h2-3,10H,4-9H2,1H3
InChIKeyDWQXFYJBXKEHKB-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine?
The IUPAC name of N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine (CID 77051179) is N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine?
The canonical SMILES for N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine is CN(CC=CCCl)C1CCOCC1.
What is the InChIKey of N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine?
The InChIKey is DWQXFYJBXKEHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-12(7-3-2-6-11)10-4-8-13-9-5-10/h2-3,10H,4-9H2,1H3.
What are the key properties of N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine?
N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine has a molecular weight of 203.71 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine is sourced from PubChem (CID 77051179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).