azane;chloroethane;ethanamine;methane;styrene

C22H39ClN2 — CID 169429651

IUPACazane;chloroethane;ethanamine;methane;styrene
SMILESC.C.C=Cc1ccccc1.C=Cc1ccccc1.CCCl.CCN.N
InChIInChI=1S/2C8H8.C2H5Cl.C2H7N.2CH4.H3N/c2*1-2-8-6-4-3-5-7-8;2*1-2-3;;;/h2*2-7H,1H2;2H2,1H3;2-3H2,1H3;2*1H4;1H3
InChIKeyXHYQSEYXZFGVSP-UHFFFAOYSA-N
MW367.02 g/mol
LogP7.30
Rot. Bonds2

About azane;chloroethane;ethanamine;methane;styrene

azane;chloroethane;ethanamine;methane;styrene (PubChem CID 169429651) has the molecular formula C22H39ClN2 and a molecular weight of 367.02 g/mol. Its IUPAC name is azane;chloroethane;ethanamine;methane;styrene.

Molecular Properties

Compound Nameazane;chloroethane;ethanamine;methane;styrene
PubChem CID169429651
Molecular FormulaC22H39ClN2
Molecular Weight367.02 g/mol
Exact Mass366.28
IUPAC Nameazane;chloroethane;ethanamine;methane;styrene
SMILESC.C.C=Cc1ccccc1.C=Cc1ccccc1.CCCl.CCN.N
InChIInChI=1S/2C8H8.C2H5Cl.C2H7N.2CH4.H3N/c2*1-2-8-6-4-3-5-7-8;2*1-2-3;;;/h2*2-7H,1H2;2H2,1H3;2-3H2,1H3;2*1H4;1H3
InChIKeyXHYQSEYXZFGVSP-UHFFFAOYSA-N
XLogP7.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.02
LogP ≤ 57.30
H-Bond Donors ≤ 52
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 azane;chloroethane;ethanamine;methane;styrene?
The IUPAC name of azane;chloroethane;ethanamine;methane;styrene (CID 169429651) is azane;chloroethane;ethanamine;methane;styrene.
What is the SMILES notation for azane;chloroethane;ethanamine;methane;styrene?
The canonical SMILES for azane;chloroethane;ethanamine;methane;styrene is C.C.C=Cc1ccccc1.C=Cc1ccccc1.CCCl.CCN.N.
What is the InChIKey of azane;chloroethane;ethanamine;methane;styrene?
The InChIKey is XHYQSEYXZFGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8.C2H5Cl.C2H7N.2CH4.H3N/c2*1-2-8-6-4-3-5-7-8;2*1-2-3;;;/h2*2-7H,1H2;2H2,1H3;2-3H2,1H3;2*1H4;1H3.
What are the key properties of azane;chloroethane;ethanamine;methane;styrene?
azane;chloroethane;ethanamine;methane;styrene has a molecular weight of 367.02 g/mol, XLogP of 7.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;chloroethane;ethanamine;methane;styrene is sourced from PubChem (CID 169429651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).