4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine

C10H17Cl2NO — CID 106440142

IUPAC4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
SMILESCC(=CCl)CNC1(CCl)CCOCC1
InChIInChI=1S/C10H17Cl2NO/c1-9(6-11)7-13-10(8-12)2-4-14-5-3-10/h6,13H,2-5,7-8H2,1H3
InChIKeyIOHOVWFLZOMYHX-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.51
Rot. Bonds4

About 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine

4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine (PubChem CID 106440142) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
PubChem CID106440142
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
SMILESCC(=CCl)CNC1(CCl)CCOCC1
InChIInChI=1S/C10H17Cl2NO/c1-9(6-11)7-13-10(8-12)2-4-14-5-3-10/h6,13H,2-5,7-8H2,1H3
InChIKeyIOHOVWFLZOMYHX-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine (CID 106440142) is 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine is CC(=CCl)CNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
The InChIKey is IOHOVWFLZOMYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-9(6-11)7-13-10(8-12)2-4-14-5-3-10/h6,13H,2-5,7-8H2,1H3.
What are the key properties of 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine?
4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine has a molecular weight of 238.16 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine is sourced from PubChem (CID 106440142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).