4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine

C9H15Cl2NO — CID 106299833

IUPAC4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
SMILESCl/C=C/CNC1(CCl)CCOCC1
InChIInChI=1S/C9H15Cl2NO/c10-4-1-5-12-9(8-11)2-6-13-7-3-9/h1,4,12H,2-3,5-8H2/b4-1+
InChIKeyACZCWGGXOKQCRY-DAFODLJHSA-N
MW224.13 g/mol
LogP2.12
Rot. Bonds4

About 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine

4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine (PubChem CID 106299833) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
PubChem CID106299833
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine
SMILESCl/C=C/CNC1(CCl)CCOCC1
InChIInChI=1S/C9H15Cl2NO/c10-4-1-5-12-9(8-11)2-6-13-7-3-9/h1,4,12H,2-3,5-8H2/b4-1+
InChIKeyACZCWGGXOKQCRY-DAFODLJHSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
CID 104866606
N-[(E)-but-2-enyl]-4-(chloromethyl)oxan-4-amine
CID 106299655
4-(chloromethyl)-N-prop-2-enyloxan-4-amine
CID 106299706
4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine
CID 106299733
N-(3-chloro-2-methylprop-2-enyl)-4-methyloxan-4-amine
CID 106438110
4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
CID 106440142
N-[(E)-3-chloroprop-2-enyl]-4-methyloxan-4-amine
CID 107900348
N-[(E)-4-chlorobut-2-enyl]-4-methyloxan-4-amine
CID 116231274
N-[(Z)-2,3-dichloroprop-2-enyl]-4-methyloxan-4-amine
CID 133631366

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine (CID 106299833) is 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine is Cl/C=C/CNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine?
The InChIKey is ACZCWGGXOKQCRY-DAFODLJHSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-4-1-5-12-9(8-11)2-6-13-7-3-9/h1,4,12H,2-3,5-8H2/b4-1+.
What are the key properties of 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine?
4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine has a molecular weight of 224.13 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]oxan-4-amine is sourced from PubChem (CID 106299833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).